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

59
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

literature stripe

Patent stripe

patents stripe