Dataset

2,5-Dichlorobenzenesulfonic Acid; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ501052 contains the MS2 mass spectrum of 2,5-Dichlorobenzenesulfonic Acid with the InChIkey LFXZSGVZSSMCMB-UHFFFAOYSA-N.

Chemical Information

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-EQ501052
Version
Author
Maintainer
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MetadataPublished 2021-03-16
Related Molecule
  • 2,5-dichlorobenzenesulfonic acid
    • 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.