Perfluoropentanoic acid

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Systematic / IUPAC Name: Nonafluoropentanoic acid

ID: Reference1567

Other Names: Perfluorovaleric acid;
Nonafluorovaleric acid;
Pentanoic acid, nonafluoro-;
Perfluoro-n-pentanoic acid;
Valeric acid, nonafluoro- ; more

Formula: C5HF9O2

Class: Extractables/Leachables Perfluorinated Hydrocarbons

Spectral Data

Perfluoropentanoic 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
No. of Spectral Trees 4
No. of Spectra 579
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 3/21/2023 4:28:28 PM
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Identificators

InChI InChI=1S/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16)
InChI Key CXZGQIAOTKWCDB-UHFFFAOYSA-N
Canonical SMILES C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
CAS 2706903
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Other Names Perfluorovaleric acid;
Nonafluorovaleric acid;
Pentanoic acid, nonafluoro-;
Perfluoro-n-pentanoic acid;
Valeric acid, nonafluoro-;
Nonafluoro-1-pentanoic acid;
2,2,3,3,4,4,5,5,5-Nonafluoropentanoic acid

In Other Databases

ChemSpider 68426
ChemIDPlus 002706890; 002706903
ChEMBL CHEMBL173263
PubChem 75921