Isoxaflutole-diketonitrile

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Systematic / IUPAC Name: 2-(Cyclopropanecarbonyl)-3-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-3-oxopropanenitrile

ID: Reference13678

Other Names: 3-Cyclopropyl-2-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]-3-oxopropanenitrile;
AA-2460

Formula: C15H12F3NO4S

Class: Pesticides/Herbicides

Spectral Data

Isoxaflutole-diketonitrile 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 1
No. of Spectra 1389
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/8/2025 8:57:16 AM
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Identificators

InChI InChI=1S/C15H12F3NO4S/c1-24(22,23)12-6-9(15(16,17)18)4-5-10(12)14(21)11(7-19)13(20)8-2-3-8/h4-6,8,11H,2-3H2,1H3
InChI Key ZTTKDUXKVPEXCG-UHFFFAOYSA-N
Canonical SMILES CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)C(C#N)C(=O)C1CC1
CAS
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Other Names 3-Cyclopropyl-2-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]-3-oxopropanenitrile;
AA-2460

In Other Databases

ChEMBL CHEMBL4098026
ChEBI CHEBI:141214
PubChem 15461303
ChemSpider 11610317