MassBank Record: JP003054



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

ACCESSION: JP003054
RECORD_TITLE: 3-CHLORO-1,1,1,2,4,4,4-HEPTAFLUORO-2-BUTENE; 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$NAME: 3-CHLORO-1,1,1,2,4,4,4-HEPTAFLUORO-2-BUTENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C4ClF7 CH$EXACT_MASS: 215.95768 CH$SMILES: FC(C(F)(F)F)=C(Cl)C(F)(F)F CH$IUPAC: InChI=1S/C4ClF7/c5-1(3(7,8)9)2(6)4(10,11)12/b2-1-
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: splash10-00kb-1920000000-2ace575f093c2a152cf8 PK$NUM_PEAK: 58 PK$PEAK: m/z int. rel.int. 31 1.4 14 35 0.2 2 37 0.1 1 43 0.01 0 47 0.4 4 49 0.2 2 50 0.6 6 55 0.07 1 62 0.2 2 66 0.3 3 68 0.1 1 69 2.78 28 70 0.4 4 74 2.1 21 75 0.1 1 78 0.09 1 80 0.3 3 85 1.6 16 86 0.1 1 87 0.05 1 89 0.4 4 90 0.4 4 93 13.2 132 94 0.04 0 97 0.6 6 99 0.2 2 109 1.7 17 111 0.06 1 112 2 20 113 0.2 2 116 2.7 27 117 0.01 0 118 0.9 9 119 0.2 2 124 0.6 6 128 0.05 1 130 0.2 2 131 12.8 128 132 0.5 5 143 0.04 0 147 99.99 999 148 3.4 34 149 32.3 323 150 0.11 1 162 0.3 3 163 0.1 1 166 19.4 194 167 0.06 1 168 5.9 59 169 0.2 2 181 2 20 182 0.01 0 197 19.4 194 199 6.6 66 216 45.7 457 217 0.19 2 218 14.3 143 219 0.6 6 //