Dataset

2-ClPFPECA-0-3; LC-ESI-QFT; MS2; CE: 75%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01166255 contains the MS2 mass spectrum of 2-ClPFPECA-0-3 with the InChIkey VWBHFMHYSNPDBL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14HClF26O6/c15-3(18,7(22,23)24)11(34,35)47-14(40,41)6(21,10(31,32)33)46-13(38,39)5(20,9(28,29)30)45-12(36,37)4(19,8(25,26)27)44-2(16,17)1(42)43/h(H,42,43)
SMILES C(=O)(C(OC(C(OC(C(OC(C(OC(C(C(F)(F)F)(F)Cl)(F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)O
InChI Key VWBHFMHYSNPDBL-UHFFFAOYSA-N
Molecular Formula C14HClF26O6
Exact Mass 793.905 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01166255
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MetadataPublished 2024-05-15
Related Molecule
  • 2-[1-[1-[1-(2-chloro-1,1,2,3,3,3-hexafluoropropoxy)-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2-difluoroacetic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    102331878 pubchem
    The data in this table is sourced from UniChem at EBI.