Perfluorohexadecanoic acid (PFHxDA)

enlarge

Systematic / IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-Hentriacontafluorohexadecanoic acid

ID: Reference2687

Other Names: Hentriacontafluorohexadecanoic acid;
Hexadecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontafluoro-;
Hexadecanoic acid, hentriacontafluoro-;
Perfluorohexadecanoic acid;
Perfluoropalmitic acid

Formula: C16HF31O2

Class: Extractables/Leachables Perfluorinated Hydrocarbons

Spectral Data

Perfluorohexadecanoic acid (PFHxDA) 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 Orbitrap Fusion with FAIMS ; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 441
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 11/27/2018 8:40:18 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C16HF31O2/c17-2(18,1(48)49)3(19,20)4(21,22)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)15(43,44)16(45,46)47/h(H,48,49)
InChI Key OJMBMWRMTMHMSZ-UHFFFAOYSA-N
Canonical SMILES C(=O)(C(C(C(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
CAS 67905195
Splash
Other Names Hentriacontafluorohexadecanoic acid;
Hexadecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontafluoro-;
Hexadecanoic acid, hentriacontafluoro-;
Perfluorohexadecanoic acid;
Perfluoropalmitic acid

In Other Databases

ChemSpider 95520
PubChem 106027
ChemIDPlus 067905195