Perfluoroheptanoic acid

enlarge

Systematic / IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptanoic acid

ID: Reference1569

Other Names: Tridecafluoroheptanoic acid;
Heptanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-;
Heptanoic acid, tridecafluoro-

Formula: C7HF13O2

Class: Extractables/Leachables Perfluorinated Hydrocarbons

Spectral Data

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

View Mass Spectra

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 707
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 11/27/2018 8:37:15 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C7HF13O2/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h(H,21,22)
InChI Key ZWBAMYVPMDSJGQ-UHFFFAOYSA-N
Canonical SMILES C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
CAS 375859
Splash
Other Names Tridecafluoroheptanoic acid;
Heptanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-;
Heptanoic acid, tridecafluoro-

In Other Databases

PubChem 67818
ChEMBL CHEMBL172763
ChemIDPlus 000375859; 020109595
ChemSpider 61135
ChEBI CHEBI:35547