Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C12H9F/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
SMILES Fc1ccccc1c1ccccc1
InChI Key KLECYOQFQXJYBC-UHFFFAOYSA-N
Molecular Formula C12H9F
Exact Mass 172.198 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KLECYOQFQXJYBC-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/KLECYOQFQXJYBC-UHFFFAOYSA-N/Mass/EI
Version
Author Bekir Bulat
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 1-fluoro-2-phenylbenzene
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    321-60-8 ACToR
    16496126 PubChem: Thomson Pharma
    477773 eMolecules
    20180016 NMRShiftDB
    SCHEMBL201614 SureChEMBL
    67579 PubChem
    CB7329661 ChemicalBook
    CHEMBL122521 ChEMBL
    YUYXIZ CCDC
    ZINC000001706194 ZINC
    DTXSID5047744 EPA CompTox Dashboard
    MCULE-5270722466 Mcule
    J27B Nikkaji
    The data in this table is sourced from UniChem at EBI.