CID 44150354

93776-09-1

Structural Information

Molecular Formula
C35H45F27O11
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(CC(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)O
InChI
InChI=1S/C35H45F27O11/c1-64-2-3-65-4-5-66-6-7-67-8-9-68-10-11-69-12-13-70-14-15-71-16-17-72-18-19-73-21-22(63)20-23(36,37)25(39,40)27(43,44)29(47,48)31(51,52)33(55,56)32(53,54)30(49,50)28(45,46)26(41,42)24(38,34(57,58)59)35(60,61)62/h22,63H,2-21H2,1H3
InChIKey
MCTLLDFQQNTIQG-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-tetracosafluoro-1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-14-(trifluoromethyl)pentadecan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1154.253 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1155.2603 276.8
[M+Na]+ 1177.2422 273.5
[M-H]- 1153.2457 287.5
[M+NH4]+ 1172.2868 292.3
[M+K]+ 1193.2162 293.1
[M+H-H2O]+ 1137.2503 261.9
[M+HCOO]- 1199.2512 284.4
[M+CH3COO]- 1213.2669 304.4
[M+Na-2H]- 1175.2277 268.7
[M]+ 1154.2525 280.4
[M]- 1154.2535 280.4
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.