CID 138394524

Bis(3-(perfluorooctyl)-2-hydroxypropyl) hydrogen phosphate

Structural Information

Molecular Formula
C22H13F34O6P
SMILES
C(C(COP(=O)(O)OCC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)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/C22H13F34O6P/c23-7(24,9(27,28)11(31,32)13(35,36)15(39,40)17(43,44)19(47,48)21(51,52)53)1-5(57)3-61-63(59,60)62-4-6(58)2-8(25,26)10(29,30)12(33,34)14(37,38)16(41,42)18(45,46)20(49,50)22(54,55)56/h5-6,57-58H,1-4H2,(H,59,60)
InChIKey
NJPNWBVASFWZAK-UHFFFAOYSA-N
Compound name
bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1049.9907 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1050.9980 152.5
[M+Na]+ 1072.9799 152.5
[M+NH4]+ 1068.0245 152.5
[M+K]+ 1088.9539 152.5
[M-H]- 1048.9834 152.5
[M+Na-2H]- 1070.9654 152.5
[M]+ 1049.9902 152.5
[M]- 1049.9912 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.