ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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-
CH$LINK: INCHIKEY WZCQDYGWGDYQNC-UPHRSURJSA-N
AC$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
//
