CID 138394219

1158182-60-5

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]+ 1090.9704 265.0
[M+Na]+ 1112.9523 264.7
[M-H]- 1088.9558 278.2
[M+NH4]+ 1107.9969 276.4
[M+K]+ 1128.9263 279.8
[M+H-H2O]+ 1072.9604 249.6
[M+HCOO]- 1134.9613 276.3
[M+CH3COO]- 1148.9770 280.1
[M+Na-2H]- 1110.9378 265.3
[M]+ 1089.9626 260.1
[M]- 1089.9636 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.