CID 3022253

Bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) hydrogen phosphate

Structural Information

Molecular Formula
C20H9F34O4P
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(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C20H9F34O4P/c21-5(22,7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)51)1-3-57-59(55,56)58-4-2-6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(52,53)54/h1-4H2,(H,55,56)
InChIKey
AFWOYEYXUDHGHF-UHFFFAOYSA-N
Compound name
bis(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
3
Annotation Hits

8
References

28
Patents

989.96954 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 990.97682 152.5
[M+Na]+ 1012.9588 152.5
[M+NH4]+ 1008.0034 152.5
[M+K]+ 1028.9327 152.5
[M-H]- 988.96226 152.5
[M+Na-2H]- 1010.9442 152.5
[M]+ 989.96899 152.5
[M]- 989.97009 152.5
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