Perfluorohexanoic acid

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Systematic / IUPAC Name: Undecafluorohexanoic acid

ID: Reference1568

Other Names: Hexanoic acid, undecafluoro-;
Perfluorocaproic acid;
Hexanoic acid, 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-;
Hexanoic acid, perfluoro-;
2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexanoic acid

Formula: C6HF11O2

Class: Extractables/Leachables Perfluorinated Hydrocarbons

Spectral Data

Perfluorohexanoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments LTQ Orbitrap XL; Orbitrap Fusion; Orbitrap Fusion with FAIMS ; Q Exactive Orbitrap
No. of Spectral Trees 4
No. of Spectra 675
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 11/27/2018 8:39:35 AM
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Identificators

InChI InChI=1S/C6HF11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H,18,19)
InChI Key PXUULQAPEKKVAH-UHFFFAOYSA-N
Canonical SMILES C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O
CAS 307244
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Other Names Hexanoic acid, undecafluoro-;
Perfluorocaproic acid;
Hexanoic acid, 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-;
Hexanoic acid, perfluoro-;
2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexanoic acid

In Other Databases

PubChem 67542
ChemSpider 60864
ChemIDPlus 000307244; 002923264