ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003805
RECORD_TITLE: TRIS(PENTAFLUOROPHENYL)-DICHLOROPHOSPHORANE; 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$NAME: TRIS(PENTAFLUOROPHENYL)-DICHLOROPHOSPHORANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈Cl₂F₁₅P
CH$EXACT_MASS: 601.88751
CH$SMILES: Fc(c(F)3)c(F)c(F)c(c(F)3)P(Cl)(Cl)(c(c(F)2)c(F)c(F)c(F)c(F)2)c(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C18Cl2F15P/c19-36(20,16-10(30)4(24)1(21)5(25)11(16)31,17-12(32)6(26)2(22)7(27)13(17)33)18-14(34)8(28)3(23)9(29)15(18)35
CH$LINK: INCHIKEY XJPPVPFQBRXUCW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40348216

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014i-5489060000-418947b42c7bf54d1bdd
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  69 54 540
  79 4.5 45
  93 6.7 67
  98 0.59 6
  99 2.6 26
  105 3 30
  110 7.1 71
  117 0.17 2
  129 30 300
  148 5.7 57
  167 3.5 35
  168 0.34 3
  198 7.5 75
  217 24.1 241
  227 13 130
  246 0.49 5
  258 7 70
  265 13.1 131
  277 11 110
  278 0.03 0
  296 41 410
  297 5.9 59
  312 4 40
  315 0.59 6
  346 3 30
  365 99.99 999
  366 11.5 115
  513 0.55 6
  514 2.2 22
  532 72 720
  533 13.6 136
  534 2 20
//