CID 3022259

93857-54-6

Structural Information

Molecular Formula
C36H9F66O4P
SMILES
C(COP(=O)(O)OCCC(C(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)(F)F)(F)F)C(C(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)(F)F)(F)F
InChI
InChI=1S/C36H9F66O4P/c37-5(38,7(41,42)9(45,46)11(49,50)13(53,54)15(57,58)17(61,62)19(65,66)21(69,70)23(73,74)25(77,78)27(81,82)29(85,86)31(89,90)33(93,94)35(97,98)99)1-3-105-107(103,104)106-4-2-6(39,40)8(43,44)10(47,48)12(51,52)14(55,56)16(59,60)18(63,64)20(67,68)22(71,72)24(75,76)26(79,80)28(83,84)30(87,88)32(91,92)34(95,96)36(100,101)102/h1-4H2,(H,103,104)
InChIKey
UWTYLCUAYINOEF-UHFFFAOYSA-N
Compound name
bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluorooctadecyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1789.9185 Da
Monoisotopic Mass

22.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1790.9258 152.5
[M+Na]+ 1812.9077 152.5
[M+NH4]+ 1807.9523 152.5
[M+K]+ 1828.8817 152.5
[M-H]- 1788.9112 152.5
[M+Na-2H]- 1810.8932 152.5
[M]+ 1789.9180 152.5
[M]- 1789.9190 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.