CID 44151429

93776-01-3

Structural Information

Molecular Formula
C32H24F42O5
SMILES
CC(COCC(C)OCC(CC(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)O)OCC(CC(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)O
InChI
InChI=1S/C32H24F42O5/c1-9(78-7-11(75)3-13(33,34)15(37,38)17(41,42)19(45,46)21(49,50)23(53,54)25(57,58)27(61,62)29(65,66)31(69,70)71)5-77-6-10(2)79-8-12(76)4-14(35,36)16(39,40)18(43,44)20(47,48)22(51,52)24(55,56)26(59,60)28(63,64)30(67,68)32(72,73)74/h9-12,75-76H,3-8H2,1-2H3
InChIKey
SDPBQXWNUJEWDU-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-1-[1-[2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-2-hydroxytridecoxy)propoxy]propan-2-yloxy]tridecan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1286.0953 Da
Monoisotopic Mass

14.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1287.1026 298.5
[M+Na]+ 1309.0845 297.9
[M-H]- 1285.0880 312.1
[M+NH4]+ 1304.1291 309.7
[M+K]+ 1325.0585 313.5
[M+H-H2O]+ 1269.0926 287.2
[M+HCOO]- 1331.0935 302.8
[M+CH3COO]- 1345.1092 284.0
[M+Na-2H]- 1307.0700 298.3
[M]+ 1286.0948 291.8
[M]- 1286.0958 291.8
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.