Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

dataset for high-resolution electrospray ionisation mass spectrometry (HRESIMS)

Chemical Information

molecular Image
InChI InChI=1S/C14H13F3O3/c1-20-13(19)12-7-6-11(14(15,16)17)9-10(12)5-3-2-4-8-18/h6-7,9,18H,2,4,8H2,1H3
SMILES OCCCC#Cc1cc(ccc1C(=O)OC)C(F)(F)F
InChI Key KXXFZQLLMBHFIV-UHFFFAOYSA-N
Molecular Formula C14H13F3O3
Exact Mass 286.246 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KXXFZQLLMBHFIV-UHFFFAOYSA-N/CHMO0000485
License URL
Source https://www.chemotion-repository.net/inchikey/KXXFZQLLMBHFIV-UHFFFAOYSA-N/CHMO0000485
Version
Author Irina Balova
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-06-02
Related Molecule
  • methyl 2-(5-hydroxypent-1-ynyl)-4-(trifluoromethyl)benzoate
    • Field Value
    Measurement Technique high-resolution electrospray ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168301082 PubChem
    The data in this table is sourced from UniChem at EBI.