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2-chloro-1-(3-fluoro-4-isocyanatophenoxy)-4-(trifluoromethyl)-benzene
SpectraBase Compound ID DDdjr2ZFLA8
InChI InChI=1S/C14H6ClF4NO2/c15-10-5-8(14(17,18)19)1-4-13(10)22-9-2-3-12(20-7-21)11(16)6-9/h1-6H
InChIKey MAKYPQDDQMTRHE-UHFFFAOYSA-N
Mol Weight 331.65 g/mol
Molecular Formula C14H6ClF4NO2
Exact Mass 331.002319 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KOf07ylIRZ4
Name 2-chloro-1-(3-fluoro-4-isocyanatophenoxy)-4-(trifluoromethyl)-benzene
Source of Sample Degradation product of Flufenoxuron
CAS Registry Number 274678-21-6
Classification Pesticides: Artifacts, Degradation product, 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 331.002318787 u
Formula C14H6ClF4NO2
InChI InChI=1S/C14H6ClF4NO2/c15-10-5-8(14(17,18)19)1-4-13(10)22-9-2-3-12(20-7-21)11(16)6-9/h1-6H
InChIKey MAKYPQDDQMTRHE-UHFFFAOYSA-N
Molecular Weight 331.654 g/mol
Number of Peaks 49
RI1 1803
SMILES c1(c(cc(cc1)C(F)(F)F)Cl)Oc1cc(c(cc1)N=C=O)F
SPLASH splash10-001i-5497000000-c374b720a79510136022
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, 2-chloro-1-(3-fluoro-4-isocyanatophenoxy)-4-(trifluoromethyl)-
Wiley ID LM_PEST_896