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Chlorbenside sulfone
SpectraBase Compound ID GJ5N4fDJB5n
InChI InChI=1S/C13H10Cl2O2S/c14-11-3-1-10(2-4-11)9-18(16,17)13-7-5-12(15)6-8-13/h1-8H,9H2
InChIKey OWFDXWCBYKXLRB-UHFFFAOYSA-N
Mol Weight 301.19 g/mol
Molecular Formula C13H10Cl2O2S
Exact Mass 299.977856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LD0uOL5dQUP
Name Chlorbenside sulfone
Source of Sample LGC Cat. #DRE-C11155000; www.lgcstandards.com
CAS Registry Number 7082-99-7
Classification Pesticides: Metabolites
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 299.977856134 u
Formula C13H10Cl2O2S
InChI InChI=1S/C13H10Cl2O2S/c14-11-3-1-10(2-4-11)9-18(16,17)13-7-5-12(15)6-8-13/h1-8H,9H2
InChIKey OWFDXWCBYKXLRB-UHFFFAOYSA-N
Molecular Weight 301.187 g/mol
Number of Peaks 141
RI1 2315
RI2 2222
SMILES c1(ccc(cc1)S(=O)(=O)Cc1ccc(cc1)Cl)Cl
SPLASH splash10-004i-3900000000-6c82d9c2be4feb36b44b
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Benzene, 1-chloro-4-[[(4-chlorophenyl)methyl]sulfonyl]-
Wiley ID LM_PEST_980