CID 3022267

93776-29-5

Structural Information

Molecular Formula
C34H9F62O4P
SMILES
C(COP(=O)(O)OCCC(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(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)C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(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
InChI
InChI=1S/C34H9F62O4P/c35-5(36,9(41,42)13(49,50)17(57,58)21(65,66)25(73,74)29(81,82)27(77,78)23(69,70)19(61,62)15(53,54)11(45,46)7(39,31(85,86)87)32(88,89)90)1-3-99-101(97,98)100-4-2-6(37,38)10(43,44)14(51,52)18(59,60)22(67,68)26(75,76)30(83,84)28(79,80)24(71,72)20(63,64)16(55,56)12(47,48)8(40,33(91,92)93)34(94,95)96/h1-4H2,(H,97,98)
InChIKey
VTOKHKRGJLAVHV-UHFFFAOYSA-N
Compound name
bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,16-octacosafluoro-15-(trifluoromethyl)hexadecyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1689.9248 Da
Monoisotopic Mass

20.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1690.9321 152.5
[M+Na]+ 1712.9140 152.5
[M+NH4]+ 1707.9586 152.5
[M+K]+ 1728.8880 152.5
[M-H]- 1688.9175 152.5
[M+Na-2H]- 1710.8995 152.5
[M]+ 1689.9243 152.5
[M]- 1689.9253 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.