Perfluorooctadecanoic acid (PFODA)

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Systematic / IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-Pentatriacontafluorooctadecanoic acid

ID: Reference2689

Other Names: Octadecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-pentatriacontafluoro-;
Octadecanoic acid, pentatriacontafluoro-;
Pentatriacontafluorooctadecanoic acid;
Perfluorooctadecanoic acid;
Perfluorostearic acid

Formula: C18HF35O2

Class: Perfluorinated Hydrocarbons

Spectral Data

Perfluorooctadecanoic acid (PFODA) 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; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 350
Tandem Spectra MS1, MS2
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 3/16/2016 1:41:54 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C18HF35O2/c19-2(20,1(54)55)3(21,22)4(23,24)5(25,26)6(27,28)7(29,30)8(31,32)9(33,34)10(35,36)11(37,38)12(39,40)13(41,42)14(43,44)15(45,46)16(47,48)17(49,50)18(51,52)53/h(H,54,55)
InChI Key ZTSDOGSKTICNPQ-UHFFFAOYSA-N
Canonical SMILES C(=O)(C(C(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)(F)F)(F)F)O
CAS 16517116
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Other Names Octadecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-pentatriacontafluoro-;
Octadecanoic acid, pentatriacontafluoro-;
Pentatriacontafluorooctadecanoic acid;
Perfluorooctadecanoic acid;
Perfluorostearic acid

In Other Databases

ChemSpider 146575
PubChem 167547
ChemIDPlus 016517116