2-Chloro-4-(methylsulfonyl)benzoic acid

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Systematic / IUPAC Name: 2-Chloro-4-methylsulfonylbenzoic acid

ID: Reference13591

Other Names: AA-2534

Formula: C8H7ClO4S

Class: Pesticides/Herbicides

Spectral Data

2-Chloro-4-(methylsulfonyl)benzoic acid 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 345
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 10/14/2025 8:53:08 AM
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Identificators

InChI InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)
InChI Key CTTWSFIIFMWHLQ-UHFFFAOYSA-N
Canonical SMILES CS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1
CAS
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Other Names AA-2534

In Other Databases

ChemSpider 643017
PubChem 735863