CID 3022289

93857-53-5

Structural Information

Molecular Formula
C32H9F58O4P
SMILES
C(COP(=O)(O)OCCC(C(C(C(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)(F)F)(F)F)(F)F)(F)F)C(C(C(C(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)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C32H9F58O4P/c33-5(34,7(37,38)9(41,42)11(45,46)13(49,50)15(53,54)17(57,58)19(61,62)21(65,66)23(69,70)25(73,74)27(77,78)29(81,82)31(85,86)87)1-3-93-95(91,92)94-4-2-6(35,36)8(39,40)10(43,44)12(47,48)14(51,52)16(55,56)18(59,60)20(63,64)22(67,68)24(71,72)26(75,76)28(79,80)30(83,84)32(88,89)90/h1-4H2,(H,91,92)
InChIKey
VAPDLYGIEFOUOV-UHFFFAOYSA-N
Compound name
bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1589.9313 Da
Monoisotopic Mass

19.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1590.938576 348.6
[M+Na]+ 1612.920518 348.4
[M-H]- 1588.924024 358.4
[M+NH4]+ 1607.965123 353.4
[M+K]+ 1628.894458 355.1
[M+H-H2O]+ 1572.928560 342.2
[M+HCOO]- 1634.929501 352.2
[M+CH3COO]- 1648.945151 267.1
[M+Na-2H]- 1610.905966 348.1
[M]+ 1589.93075142 333.9
[M]- 1589.93184858 333.9
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.