Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C6H4F3NO/c7-6(8,9)5-3-1-2-4-10(5)11/h1-4H
SMILES [O-][n+]1ccccc1C(F)(F)F
InChI Key QIZSMXWVUDFDMS-UHFFFAOYSA-N
Exact Mass 163.097 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QIZSMXWVUDFDMS-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/QIZSMXWVUDFDMS-UHFFFAOYSA-N/CHMO0000498
Version
Author Burkhard Koenig
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-02-26
Related Molecule
  • 1-oxido-2-(trifluoromethyl)pyridin-1-ium
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    113414 surechembl
    29427272 surechembl
    10352010 pubchem
    The data in this table is sourced from UniChem at EBI.