Dataset

2,5-Dichlorobenzenesulfonic Acid

This MassBank record with Accession MSBNK-Eawag-EQ501056 contains the MS2 mass spectrum of 2,5-Dichlorobenzenesulfonic Acid with the InChIkey LFXZSGVZSSMCMB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H4Cl2O3S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,(H,9,10,11)
SMILES C1=CC(=C(C=C1Cl)S(=O)(=O)O)Cl
InChI Key LFXZSGVZSSMCMB-UHFFFAOYSA-N
Molecular Formula C6H4Cl2O3S
Exact Mass 225.926 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ501056
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:32:41.838904
MetadataModified 2025-02-09T09:55:22.955876
MetadataPublished 2021-03-16
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL198460 SureChEMBL
88-42-6 ACToR
1837083 eMolecules
16119819 PubChem: Thomson Pharma
66616 PubChem
62203-25-2 ACToR
CB6105374 ChemicalBook
VIFVAL CCDC
J30.594D Nikkaji
3518F21Z53 FDA SRS
ZINC000001648219 ZINC
DTXSID7058967 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.