Carfentrazone

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Systematic / IUPAC Name: 2-Chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoic acid

ID: Reference13676

Other Names: AA-2458

Formula: C13H10Cl2F3N3O3

Class: Pesticides/Herbicides

Spectral Data

Carfentrazone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 2
No. of Spectra 5016
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 12/8/2025 9:13:32 AM
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Identificators

InChI InChI=1S/C13H10Cl2F3N3O3/c1-5-19-21(13(24)20(5)12(17)18)10-3-6(2-8(15)11(22)23)7(14)4-9(10)16/h3-4,8,12H,2H2,1H3,(H,22,23)
InChI Key YHKBGVDUSSWOAB-UHFFFAOYSA-N
Canonical SMILES Cc1nn(-c2cc(CC(Cl)C(=O)O)c(Cl)cc2F)c(=O)n1C(F)F
CAS
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Other Names AA-2458

In Other Databases

PubChem 443229
ChEBI CHEBI:138240
KEGG C11493
ChemSpider 391493