Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C16H14Br2/c17-15-9-11-1-5-13(15)8-4-12-2-6-14(7-3-11)16(18)10-12/h1-2,5-6,9-10H,3-4,7-8H2
SMILES Brc1cc2CCc3ccc(CCc1cc2)cc3Br
InChI Key QDMAXRJHDMKTQH-UHFFFAOYSA-N
Molecular Formula C16H14Br2
Exact Mass 366.090 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QDMAXRJHDMKTQH-UHFFFAOYSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/QDMAXRJHDMKTQH-UHFFFAOYSA-N/CHMO0000563
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-02-26
Related Molecule
  • 5,11-dibromotricyclo[8.2.2.2^{4,7}]hexadeca-1(12),4,6,10,13,15-hexaene
    • Field Value
    Measurement Technique fast-atom bombardment mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    6662-18-6 ACToR
    16185116 PubChem: Thomson Pharma
    SCHEMBL4612611 SureChEMBL
    CB41476860 ChemicalBook
    12947910 eMolecules
    CB9336096 ChemicalBook
    J2.602.233I Nikkaji
    J2.602.234G Nikkaji
    BRPCYP CCDC
    ZINC000003122312 ZINC
    J902.935D Nikkaji
    MCULE-2334410964 Mcule
    5200652 PubChem
    The data in this table is sourced from UniChem at EBI.