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Fipronil sulfide
SpectraBase Compound ID 3c05k5WYP8n
InChI InChI=1S/C12H4Cl2F6N4S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)25-12(18,19)20/h1-2H,22H2
InChIKey FQXWEKADCSXYOC-UHFFFAOYSA-N
Mol Weight 421.15 g/mol
Molecular Formula C12H4Cl2F6N4S
Exact Mass 419.943792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5yN8ZJooWL2
Name Fipronil sulfide
Source of Sample LGC Cat. #DRE-C13645400; www.lgcstandards.com
CAS Registry Number 120067-83-6
Classification Pesticides: Metabolites
Copyright Copyright © 2016-2024  John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H4Cl2F6N4S
InChI InChI=1S/C12H4Cl2F6N4S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)25-12(18,19)20/h1-2H,22H2
InChIKey FQXWEKADCSXYOC-UHFFFAOYSA-N
Number of Peaks 357
RI1 2035
RI2 2007
SMILES c1(n[n](c(c1SC(F)(F)F)N)-c1c(cc(cc1Cl)C(F)(F)F)Cl)C#N
SPLASH splash10-0zfr-5596300000-47d6c982527d87d8c88b
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)thio]-
Wiley ID LM_PEST_1013