CID 10143739

8:2 fluorotelomer phosphate monoester

Structural Information

Molecular Formula
C10H6F17O4P
SMILES
C(COP(=O)(O)O)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
InChI
InChI=1S/C10H6F17O4P/c11-3(12,1-2-31-32(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2,(H2,28,29,30)
InChIKey
MIABSAQIFYEDJP-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

43
Patents

543.9732 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.98048 173.4
[M+Na]+ 566.96242 175.6
[M-H]- 542.96592 181.7
[M+NH4]+ 562.00702 181.7
[M+K]+ 582.93636 183.3
[M+H-H2O]+ 526.97046 154.6
[M+HCOO]- 588.97140 192.7
[M+CH3COO]- 602.98705 238.8
[M+Na-2H]- 564.94787 168.9
[M]+ 543.97265 170.3
[M]- 543.97375 170.3
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