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3,3,4,4,5,5,6,6,6-Nonafluorohexanol
SpectraBase Compound ID DmNdWqAevqT
InChI InChI=1S/C6H5F9O/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h16H,1-2H2
InChIKey JCMNMOBHVPONLD-UHFFFAOYSA-N
Mol Weight 264.09 g/mol
Molecular Formula C6H5F9O
Exact Mass 264.019668 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Ejs3pbe5RZb
Name FT-OH-standards-Multiple_N
Classification Fluorotelomer substance (FT)
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.019668247 u
Formula C6H5F9O
InChI InChI=1S/C6H5F9O/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h16H,1-2H2
InChIKey JCMNMOBHVPONLD-UHFFFAOYSA-N
Ion Polarity N
Literature Reference Koelmel, J. P.; Stelben, P.; McDonough, C. A.; Dukes, D. A.; Aristizabal-Henao, J. J.; Nason, S. L.; Yang, L.; Sternberg, S.; Lin, E. Z.; Beckmann, M.; Williams, A. J.; Draper, J.; Finch, J.; Munk, J.; Deigl, C.; Rennie, E. E.; Bowden, J. A.; Godri, K. J. FluoroMatch 2.0—Making Automated and Comprehensive Non-Targeted PFAS Annotation a Reality. Analytical and Bioanalytical Chemistry 2021, 414 (3), 1201–1215.
Literature Reference DOI 10.1007/s00216-021-03392-7
Precursor Ion [M-H]-
Precursor m/z 263.012
SMILES OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Sample Comments Built using spectra from authentic standards and literature, one standard for a given lipid class was obtained
Synonyms Fluorinated telomeric alcohol