ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002878
RECORD_TITLE: TRIFLUOROMETHYL-P-CHLOROPHENYL-THIOETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: TRIFLUOROMETHYL-P-CHLOROPHENYL-THIOETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₄ClF₃S
CH$EXACT_MASS: 211.96743
CH$SMILES: Clc(c1)ccc(c1)SC(F)(F)F
CH$IUPAC: InChI=1S/C7H4ClF3S/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H
CH$LINK: INCHIKEY ATFBQTUDGRJCNB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80352857

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$SPLASH: splash10-03dl-6940000000-9224a6e90b8f838f1245
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  38 5.11 51
  39 4.67 47
  45 7.49 75
  50 13.51 135
  51 5.09 51
  57 4.87 49
  58 3.36 34
  61 3.98 40
  62 6.6 66
  63 18.11 181
  69 36.26 363
  73 9.06 91
  74 8.47 85
  75 14.23 142
  81 4.91 49
  82 11.03 110
  99 13.77 138
  101 4.64 46
  107 4.52 45
  108 56.51 565
  109 4.84 48
  110 2.57 26
  111 3.45 35
  143 99.99 999
  144 8.5 85
  145 37.87 379
  146 2.71 27
  193 5.14 51
  195 2.18 22
  212 75.21 752
  213 6.55 66
  214 27.65 277
  215 2.6 26
//