(1H,1H,2H,2H-Tridecafluorooct-1-yl)phosphonic acid

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Systematic / IUPAC Name: 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctylphosphonic acid

ID: Reference12387

Other Names: 1H,1H,2H,2H-Perfluorooctanephosphonic acid;
Phosphonic acid, (3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-;
Perfluorohexyl ethylphosphonic acid

Formula: C8H6F13O3P

Class: Perfluorinated Hydrocarbons

Spectral Data

(1H,1H,2H,2H-Tridecafluorooct-1-yl)phosphonic 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 Orbitrap Fusion
No. of Spectral Trees 2
No. of Spectra 3800
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 3/17/2023 10:40:37 AM
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Identificators

InChI InChI=1S/C8H6F13O3P/c9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H2,22,23,24)
InChI Key DEXIXSRZQUFPIK-UHFFFAOYSA-N
Canonical SMILES C(CP(=O)(O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
CAS 252237404
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Other Names 1H,1H,2H,2H-Perfluorooctanephosphonic acid;
Phosphonic acid, (3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-;
Perfluorohexyl ethylphosphonic acid

In Other Databases

ChemSpider 26323889
PubChem 53756597; 53756597
ChemIDPlus 252237404