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4-trifluoromethylbenzylsulfonyl chloride
SpectraBase Compound ID 2BMSLHgvlmE
InChI InChI=1S/C8H6ClF3O2S/c9-15(13,14)5-6-1-3-7(4-2-6)8(10,11)12/h1-4H,5H2
InChIKey KKBNUPMMAGEQAT-UHFFFAOYSA-N
Mol Weight 258.64 g/mol
Molecular Formula C8H6ClF3O2S
Exact Mass 257.972913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Fz3Vybc7S9
Name 4-trifluoromethylbenzylsulfonyl chloride
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 257.972912794 u
Formula C8H6ClF3O2S
InChI InChI=1S/C8H6ClF3O2S/c9-15(13,14)5-6-1-3-7(4-2-6)8(10,11)12/h1-4H,5H2
InChIKey KKBNUPMMAGEQAT-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701766
Molecular Weight 258.642 g/mol
Quality 222
SMILES C1=CC(=CC=C1CS(Cl)(=O)=O)C(F)(F)F
SPLASH splash10-0a4i-0900000000-18994fdb519982f2ece6
Source of Spectrum K1-2018-SM5-2c (DOI: 10.1002/ejoc.201701766)
Wiley ID 1894017