CID 138394219

(perfluorodecyl)ethyl (perfluorooctyl)ethyl hydrogen phosphate

Structural Information

Molecular Formula
C22H9F38O4P
SMILES
C(COP(=O)(O)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(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)(F)F)(F)F
InChI
InChI=1S/C22H9F38O4P/c23-5(24,7(27,28)9(31,32)11(35,36)13(39,40)14(41,42)16(45,46)18(49,50)20(53,54)22(58,59)60)1-3-63-65(61,62)64-4-2-6(25,26)8(29,30)10(33,34)12(37,38)15(43,44)17(47,48)19(51,52)21(55,56)57/h1-4H2,(H,61,62)
InChIKey
BBDDRBGAFBSXRZ-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1089.9631 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1090.970376 265.0
[M+Na]+ 1112.952318 264.7
[M-H]- 1088.955824 278.2
[M+NH4]+ 1107.996923 276.4
[M+K]+ 1128.926258 279.8
[M+H-H2O]+ 1072.960360 249.6
[M+HCOO]- 1134.961301 276.3
[M+CH3COO]- 1148.976951 280.1
[M+Na-2H]- 1110.937766 265.3
[M]+ 1089.96255142 260.1
[M]- 1089.96364858 260.1
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.