Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C8H7Br3/c9-4-6-1-2-7(5-10)8(11)3-6/h1-3H,4-5H2
SMILES BrCc1ccc(c(c1)Br)CBr
InChI Key QOTLBTLQTHPRIW-UHFFFAOYSA-N
Molecular Formula C8H7Br3
Exact Mass 342.853 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QOTLBTLQTHPRIW-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/QOTLBTLQTHPRIW-UHFFFAOYSA-N/CHMO0000480
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 2-bromo-1,4-bis(bromomethyl)benzene
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    19900-52-8 ACToR
    262239 PubChem
    7415970 eMolecules
    SCHEMBL3373171 SureChEMBL
    ZINC000001621359 ZINC
    DTXSID70294272 EPA CompTox Dashboard
    VEJRAF CCDC
    J3.165.921C Nikkaji
    CB93204327 ChemicalBook
    The data in this table is sourced from UniChem at EBI.