Perfluorononanoic acid (PFNA)

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Systematic / IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononanoic acid

ID: Reference1571

Other Names: Heptadecafluorononanoic acid;
Nonanoic acid, heptadecafluoro-;
Heptadecafluoropelargonic acid;
Nonanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-

Formula: C9HF17O2

Class: Extractables/Leachables Perfluorinated Hydrocarbons

Spectral Data

Perfluorononanoic acid (PFNA) 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 5
No. of Spectra 708
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 11/27/2018 8:41:04 AM
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Identificators

InChI InChI=1S/C9HF17O2/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h(H,27,28)
InChI Key UZUFPBIDKMEQEQ-UHFFFAOYSA-N
Canonical SMILES C(=O)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
CAS 375951
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Other Names Heptadecafluorononanoic acid;
Nonanoic acid, heptadecafluoro-;
Heptadecafluoropelargonic acid;
Nonanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-

In Other Databases

Wikipedia Perfluorononanoic acid
ChemSpider 61138
ChemIDPlus 000375951
ChEBI CHEBI:38397
PubChem 67821
ChEMBL CHEMBL426404