Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C11H10FN/c1-13-8-2-3-11(13)9-4-6-10(12)7-5-9/h2-8H,1H3
SMILES Fc1ccc(cc1)c1cccn1C
InChI Key BQJKVELGMOGHQA-UHFFFAOYSA-N
Molecular Formula C11H10FN
Exact Mass 175.202 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BQJKVELGMOGHQA-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/BQJKVELGMOGHQA-UHFFFAOYSA-N/CHMO0000498
Version
Author Robert Wolf
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-14
Related Molecule
  • 2-(4-fluorophenyl)-1-methylpyrrole
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000016382582 ZINC
    MCULE-4891054073 Mcule
    SCHEMBL11359663 SureChEMBL
    14198543 PubChem
    J3.360.725C Nikkaji
    The data in this table is sourced from UniChem at EBI.