2-{[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl}acetic acid

SpectraBase Compound ID	IJisQfnfJDT
InChI	InChI=1S/C9H6ClF3O2S/c10-6-3-5(9(11,12)13)1-2-7(6)16-4-8(14)15/h1-3H,4H2,(H,14,15)
InChIKey	GPJDMXJGIQPTBZ-UHFFFAOYSA-N Google Search
Mol Weight	270.65 g/mol
Molecular Formula	C9H6ClF3O2S
Exact Mass	269.972913 g/mol

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SpectraBase Spectrum ID	AqT15UlyuZI
Name	2-{[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl}acetic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C9H6ClF3O2S
InChI	InChI=1S/C9H6ClF3O2S/c10-6-3-5(9(11,12)13)1-2-7(6)16-4-8(14)15/h1-3H,4H2,(H,14,15)
InChIKey	GPJDMXJGIQPTBZ-UHFFFAOYSA-N
Molecular Weight	270.653 g/mol
SMILES	OC(CSc1ccc(C(F)(F)F)cc1Cl)=O
SPLASH	splash10-002b-9560000000-22b699a59fd73e6cbab0
Source of Spectrum	IY-2-5139-9
Synonyms	Acetic acid, 2-[[2-chloro-4-(trifluoromethyl)phenyl]thio]- 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanylacetic acid 2-[2-chloranyl-4-(trifluoromethyl)phenyl]sulfanylethanoic acid
Wiley ID	1659382