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Fipronil sulfone
SpectraBase Compound ID Av9LgGQP1Ri
InChI InChI=1S/C12H4Cl2F6N4O2S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)27(25,26)12(18,19)20/h1-2H,22H2
InChIKey LGHZJDKSVUTELU-UHFFFAOYSA-N
Mol Weight 453.15 g/mol
Molecular Formula C12H4Cl2F6N4O2S
Exact Mass 451.933621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FTA5ZM3MGYc
Name Fipronil sulfone
Source of Sample LGC Cat. #DRE-C13645500; www.lgcstandards.com
CAS Registry Number 120068-36-2
Classification Pesticides: Metabolites
Copyright Copyright © 2016-2024  John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H4Cl2F6N4O2S
InChI InChI=1S/C12H4Cl2F6N4O2S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)27(25,26)12(18,19)20/h1-2H,22H2
InChIKey LGHZJDKSVUTELU-UHFFFAOYSA-N
Number of Peaks 373
RI1 2180
RI2 2148
SMILES c1(n[n](c(c1S(=O)(=O)C(F)(F)F)N)-c1c(cc(cc1Cl)C(F)(F)F)Cl)C#N
SPLASH splash10-0bwl-4496100000-eabb4887d4613f56a31b
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)sulfonyl]-
Wiley ID LM_PEST_1014