Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

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

Chemical Information

molecular Image
InChI InChI=1S/C10H6F6O5S/c1-20-8(17)6-3-2-5(9(11,12)13)4-7(6)21-22(18,19)10(14,15)16/h2-4H,1H3
SMILES COC(=O)c1ccc(cc1OS(=O)(=O)C(F)(F)F)C(F)(F)F
InChI Key SXBGVJQQQNXKCD-UHFFFAOYSA-N
Molecular Formula C10H6F6O5S
Exact Mass 352.207 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SXBGVJQQQNXKCD-UHFFFAOYSA-N/CHMO0000485
License URL
Source https://www.chemotion-repository.net/inchikey/SXBGVJQQQNXKCD-UHFFFAOYSA-N/CHMO0000485
Version
Author Irina Balova
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-06-02
Related Molecule
  • methyl 4-(trifluoromethyl)-2-(trifluoromethylsulfonyloxy)benzoate
    • Field Value
    Measurement Technique high-resolution electrospray ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL16750947 SureChEMBL
    118104137 PubChem
    The data in this table is sourced from UniChem at EBI.