Dataset

N-Ethylperfluorooctane sulfonamidoacetic acid; LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EA292153 contains the MS2 mass spectrum of N-Ethylperfluorooctane sulfonamidoacetic acid with the InChIkey CKRXVVGETMYFIO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H8F17NO4S/c1-2-30(3-4(31)32)35(33,34)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h2-3H2,1H3,(H,31,32)
SMILES FC(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)N(CC(O)=O)CC
InChI Key CKRXVVGETMYFIO-UHFFFAOYSA-N
Molecular Formula C12H8F17NO4S
Exact Mass 584.990 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EA292153
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MetadataPublished 2014-01-14
Related Molecule
  • 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]acetic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83507 chebi
    2892539 surechembl
    18134 pubchem
    IT4R503EPH fdasrs
    PD192533 probes_and_drugs
    XIDNII CCDC
    DTXSID5062760 comptox
    The data in this table is sourced from UniChem at EBI.