Perfluorobutanoic acid

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Systematic / IUPAC Name: Heptafluorobutanoic acid

ID: Reference1566

Other Names: Perfluoropropanecarboxylic acid;
Heptafluorobutyric acid;
Perfluorobutyric acid;
Heptafluoro-1-butanoic acid;
2,2,3,3,4,4,4-Heptafluorobutanoic acid

Formula: C4HF7O2

Class: Perfluorinated Hydrocarbons

Spectral Data

Perfluorobutanoic 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; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 364
Tandem Spectra MS1, MS2
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 3/16/2016 10:49:10 AM
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Identificators

InChI InChI=1S/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13)
InChI Key YPJUNDFVDDCYIH-UHFFFAOYSA-N
Canonical SMILES C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O
CAS 375224
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Other Names Perfluoropropanecarboxylic acid;
Heptafluorobutyric acid;
Perfluorobutyric acid;
Heptafluoro-1-butanoic acid;
2,2,3,3,4,4,4-Heptafluorobutanoic acid;
Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-

In Other Databases

Wikipedia Heptafluorobutyric_acid
ChEMBL CHEMBL367680
ChemIDPlus 000375224; 003794647; 002218544
ChemSpider 9394
PubChem 9777
ChEBI CHEBI:39426