Dataset

electrospray ionisation time-of-flight mass spectrometry (ESI TOF MS)

dataset for electrospray ionisation time-of-flight mass spectrometry (ESI TOF MS)

Chemical Information

molecular Image
InChI InChI=1S/C12H8BrN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14H
SMILES Brc1ccc2c(c1)c1ccccc1[nH]2
InChI Key LTBWKAYPXIIVPC-UHFFFAOYSA-N
Molecular Formula C12H8BrN
Exact Mass 246.103 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LTBWKAYPXIIVPC-UHFFFAOYSA-N/CHMO0000736
License URL
Source https://www.chemotion-repository.net/inchikey/LTBWKAYPXIIVPC-UHFFFAOYSA-N/CHMO0000736
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-02-26
Related Molecule
  • 3-bromo-9H-carbazole
    • Field Value
    Measurement Technique electrospray ionisation time-of-flight mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    721058 eMolecules
    SCHEMBL262450 SureChEMBL
    16485470 PubChem: Thomson Pharma
    1592-95-6 ACToR
    CHEMBL5088566 ChEMBL
    252446 PubChem
    CB2444848 ChemicalBook
    10021634 NMRShiftDB
    MCULE-7407425602 Mcule
    ZINC000000160335 ZINC
    J848.336A Nikkaji
    MASCEP CCDC
    The data in this table is sourced from UniChem at EBI.