Perfluorooctyl phosphate

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Systematic / IUPAC Name: 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl dihydrogen phosphate

ID: Reference6653

Other Names: (3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)oxyphosphonic acid;
Mono[2-(perfluorohexyl)ethyl] phosphate

Formula: C8H6F13O4P

Spectral Data

Perfluorooctyl phosphate 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 ID-X with ETD_Cal Gateshead
No. of Spectral Trees 3
No. of Spectra 1975
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 7/26/2017 11:30:41 AM
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Identificators

InChI InChI=1S/C8H6F13O4P/c9-3(10,1-2-25-26(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 FZTRDYSPWWJCOF-UHFFFAOYSA-N
Canonical SMILES C(COP(=O)(O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
CAS 57678010
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Other Names (3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)oxyphosphonic acid;
Mono[2-(perfluorohexyl)ethyl] phosphate

In Other Databases

PubChem 14250578
ChemSpider 28290256
ChEBI CHEBI:83508