Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C10H4Br2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H
SMILES O=C1C(=C(Br)C(=O)c2c1cccc2)Br
InChI Key PSMABVOYZJWFBV-UHFFFAOYSA-N
Molecular Formula C10H4Br2O2
Exact Mass 315.946 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PSMABVOYZJWFBV-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/PSMABVOYZJWFBV-UHFFFAOYSA-N/CHMO0000470
Version
Author Irina Protasova
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-03-29
Related Molecule
  • 2,3-dibromonaphthalene-1,4-dione
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1989145 chembl
    1240837 surechembl
    29475349 surechembl
    83259 pubchem
    PD011877 probes_and_drugs
    DBRNPQ CCDC
    142631 brenda
    254941 brenda
    Molport-000-564-043 molport
    The data in this table is sourced from UniChem at EBI.