Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C15H13F5O2/c1-22-13(21)14(17,15(18,19)20)10-6-7-11(12(16)8-10)9-4-2-3-5-9/h4,6-8H,2-3,5H2,1H3
SMILES COC(=O)C(C(F)(F)F)(c1ccc(c(c1)F)C1=CCCC1)F
InChI Key ODLBHFASVBYMCV-UHFFFAOYSA-N
Molecular Formula C15H13F5O2
Exact Mass 320.255 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ODLBHFASVBYMCV-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/ODLBHFASVBYMCV-UHFFFAOYSA-N/Mass/EI
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • methyl 2-[4-(cyclopenten-1-yl)-3-fluorophenyl]-2,3,3,3-tetrafluoropropanoate
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J3.193.377C Nikkaji
    73427437 PubChem
    The data in this table is sourced from UniChem at EBI.