Sulcotrione

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Systematic / IUPAC Name: 2-[2-Chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione

ID: Reference95

Other Names: 2-(2-Chloro-4-mesylbenzoyl)cyclohexane-1,3-dione;
2-[2-Chloro-4-(methylsulfonyl)benzoyl]-1.3-cyclohexanedione;
1,3-Cyclohexanedione, 2-[2-chloro-4-(methylsulfonyl)benzoyl]-

Formula: C14H13ClO5S

Class: Pesticides/Herbicides

Spectral Data

Sulcotrione 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 LTQ Orbitrap XL; Q Exactive Plus Orbitrap
No. of Spectral Trees 3
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/5/2015 4:50:26 PM
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Identificators

InChI InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3
InChI Key PQTBTIFWAXVEPB-UHFFFAOYSA-N
Canonical SMILES CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl
CAS 99105778
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Other Names 2-(2-Chloro-4-mesylbenzoyl)cyclohexane-1,3-dione;
2-[2-Chloro-4-(methylsulfonyl)benzoyl]-1.3-cyclohexanedione;
1,3-Cyclohexanedione, 2-[2-chloro-4-(methylsulfonyl)benzoyl]-

In Other Databases

ChemIDPlus 099105778; 123174481; 114680614
ChemSpider 82858
PubChem 91760