Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H11F3O3/c17-16(18,19)10-5-6-12-13(9-10)11-3-1-7-21-8-2-4-14(11)22-15(12)20/h5-6,9H,2,4,7-8H2
SMILES O=c1oc2CCCOCC#Cc2c2c1ccc(c2)C(F)(F)F
InChI Key QTFCYZQONWMAKG-UHFFFAOYSA-N
Molecular Formula C16H11F3O3
Exact Mass 308.252 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QTFCYZQONWMAKG-UHFFFAOYSA-N/CHMO0000485
License URL
Source https://www.chemotion-repository.net/inchikey/QTFCYZQONWMAKG-UHFFFAOYSA-N/CHMO0000485
Version
Author Irina Balova
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-06-02
Related Molecule
  • 4-(trifluoromethyl)-9,14-dioxatricyclo[8.7.0.02,7]heptadeca-1(10),2(7),3,5-tetraen-16-yn-8-one
    • Field Value
    Measurement Technique high-resolution electrospray ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168301085 PubChem
    The data in this table is sourced from UniChem at EBI.