Dataset

ADV-N5; LC-ESI-QFT; MS2; CE: 75%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01168255 contains the MS2 mass spectrum of ADV-N5 with the InChIkey HWPVWYVBOOKNTN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17HClF32O7/c18-3(21,8(26,27)28)13(41,42)57-17(49,50)7(25,12(38,39)40)56-16(47,48)6(24,11(35,36)37)55-15(45,46)5(23,10(32,33)34)54-14(43,44)4(22,9(29,30)31)53-2(19,20)1(51)52/h(H,51,52)
SMILES C(=O)(C(OC(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)(C(F)(F)F)F)(F)F)O
InChI Key HWPVWYVBOOKNTN-UHFFFAOYSA-N
Molecular Formula C17HClF32O7
Exact Mass 959.890 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01168255
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MetadataPublished 2024-05-15
Related Molecule
  • 2-[1-[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-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
    169447946 pubchem
    The data in this table is sourced from UniChem at EBI.