CID 44151429

Einecs 297-926-2

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]+ 1287.102576 298.5
[M+Na]+ 1309.084518 297.9
[M-H]- 1285.088024 312.1
[M+NH4]+ 1304.129123 309.7
[M+K]+ 1325.058458 313.5
[M+H-H2O]+ 1269.092560 287.2
[M+HCOO]- 1331.093501 302.8
[M+CH3COO]- 1345.109151 284.0
[M+Na-2H]- 1307.069966 298.3
[M]+ 1286.09475142 291.8
[M]- 1286.09584858 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.