CID 14250578

Mono[2-(perfluorohexyl)ethyl] phosphate

Structural Information

Molecular Formula
C8H6F13O4P
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
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)
InChIKey
FZTRDYSPWWJCOF-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

62
Patents

443.9796 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.98688 157.5
[M+Na]+ 466.96882 160.9
[M-H]- 442.97232 163.0
[M+NH4]+ 462.01342 163.6
[M+K]+ 482.94276 164.3
[M+H-H2O]+ 426.97686 140.7
[M+HCOO]- 488.97780 177.9
[M+CH3COO]- 502.99345 222.2
[M+Na-2H]- 464.95427 152.6
[M]+ 443.97905 154.1
[M]- 443.98015 154.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.