Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C19H13Br2NO2S/c1-12-2-6-15(7-3-12)25(23,24)22-18-8-4-13(20)10-16(18)17-11-14(21)5-9-19(17)22/h2-11H,1H3
SMILES Cc1ccc(cc1)S(=O)(=O)n1c2ccc(cc2c2c1ccc(c2)Br)Br
InChI Key WYRXIAFJBSSBIU-UHFFFAOYSA-N
Molecular Formula C19H13Br2NO2S
Exact Mass 479.185 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WYRXIAFJBSSBIU-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/WYRXIAFJBSSBIU-UHFFFAOYSA-N/CHMO0000470
Version
Author Pit Turpel
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-08
Related Molecule
  • 3,6-dibromo-9-(4-methylphenyl)sulfonylcarbazole
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ADALOH CCDC
    SCHEMBL15910233 SureChEMBL
    15526909 PubChem
    The data in this table is sourced from UniChem at EBI.