MassBank Record: JP002790



 1,1-BIS(4-CHLOROPHENYL)-2,2,2-TRICHLOROETHANE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002790
RECORD_TITLE: 1,1-BIS(4-CHLOROPHENYL)-2,2,2-TRICHLOROETHANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 1,1-BIS(4-CHLOROPHENYL)-2,2,2-TRICHLOROETHANE CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H9Cl5 CH$EXACT_MASS: 351.91469 CH$SMILES: Clc(c2)ccc(c2)C(c(c1)ccc(Cl)c1)C(Cl)(Cl)Cl CH$IUPAC: InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000i-4590000000-8e90af62825794d4ed32 PK$NUM_PEAK: 197 PK$PEAK: m/z int. rel.int. 35 3 30 36 15.5 155 37 1.5 15 38 0.63 6 39 4.2 42 40 0.2 2 41 0.7 7 42 0.01 0 43 0.3 3 44 0.3 3 47 0.8 8 49 0.07 1 50 10 100 51 10 100 52 0.8 8 53 0.01 0 55 0.5 5 56 0.2 2 57 0.3 3 60 0.03 0 61 1.7 17 62 3.5 35 63 6.7 67 64 0.07 1 65 0.5 5 67 0.2 2 68 0.5 5 69 0.08 1 70 0.3 3 71 0.1 1 72 0.1 1 73 0.29 3 74 7.1 71 75 15.9 159 76 3 30 77 0.24 2 78 0.2 2 79 0.1 1 80 0.2 2 81 0.16 2 82 6.2 62 83 0.3 3 84 0.7 7 85 0.02 0 86 2.1 21 87 5 50 88 9 90 89 0.19 2 90 0.1 1 91 0.1 1 92 0.7 7 93 0.13 1 94 0.3 3 96 0.1 1 97 0.9 9 98 0.21 2 99 5.5 55 100 2.7 27 101 3.3 33 102 0.09 1 104 0.3 3 105 4.1 41 106 3 30 107 0.08 1 108 0.2 2 109 0.9 9 110 1.5 15 111 0.27 3 112 0.8 8 113 1.5 15 114 0.9 9 115 0.09 1 117 0.5 5 119 0.6 6 120 0.1 1 121 0.02 0 122 0.9 9 123 4.1 41 124 2.4 24 125 0.18 2 126 1.3 13 127 0.4 4 128 0.2 2 132 0.01 0 133 0.3 3 134 0.5 5 135 2.1 21 136 0.59 6 137 2.3 23 138 2.7 27 139 1.7 17 140 0.03 0 141 0.6 6 142 0.1 1 146 0.5 5 147 0.04 0 148 0.7 7 149 2.3 23 150 2.9 29 151 0.21 2 152 0.8 8 153 0.1 1 158 0.1 1 159 0.06 1 160 1 10 161 0.8 8 162 0.9 9 163 0.58 6 164 5.8 58 165 40.4 404 166 6.7 67 167 0.06 1 169 0.1 1 170 1.5 15 171 2.1 21 172 0.16 2 173 2.3 23 174 2.7 27 175 4.1 41 176 1.59 16 177 4.7 47 178 1.8 18 179 0.3 3 180 0.01 0 183 0.1 1 184 0.8 8 185 0.4 4 186 0.11 1 187 0.2 2 188 0.1 1 195 0.1 1 196 0.02 0 197 0.6 6 198 0.7 7 199 14.1 141 200 1.01 10 201 7.9 79 202 3.8 38 203 1.2 12 204 0.01 0 205 0.1 1 206 1.7 17 207 0.4 4 208 0.16 2 209 0.3 3 210 3.4 34 211 2.8 28 212 2.39 24 213 4.3 43 214 7.4 74 215 1.3 13 233 0.09 1 234 0.7 7 235 99.99 999 236 15.1 151 237 6.59 66 238 10.3 103 239 11.9 119 240 1.9 19 241 0.01 0 244 0.3 3 245 0.3 3 246 16.3 163 247 0.89 9 248 12.7 127 249 5.8 58 250 3.1 31 251 0.14 1 252 0.2 2 262 0.1 1 264 0.1 1 280 0.08 1 281 2.4 24 282 10.7 107 283 3.9 39 284 1.01 10 285 2.3 23 286 3.4 34 287 0.9 9 288 0.05 1 289 0.1 1 316 2.7 27 317 1.6 16 318 0.37 4 319 1.8 18 320 1.9 19 321 1.1 11 322 0.07 1 323 0.4 4 324 0.1 1 352 1.2 12 353 0.01 0 354 1.5 15 355 0.3 3 356 0.9 9 357 0.01 0 358 0.5 5 //