CID 139594944

Hopas n=5 m=12

Structural Information

Molecular Formula
C34H49F21O12
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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
InChI
InChI=1S/C34H49F21O12/c35-25(36,26(37,38)27(39,40)28(41,42)29(43,44)30(45,46)31(47,48)32(49,50)33(51,52)34(53,54)55)1-3-57-5-7-59-9-11-61-13-15-63-17-19-65-21-23-67-24-22-66-20-18-64-16-14-62-12-10-60-8-6-58-4-2-56/h56H,1-24H2
InChIKey
FPDUFYFPDFGZIW-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1048.2888 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1049.2961 153.3
[M+Na]+ 1071.2780 153.3
[M+NH4]+ 1066.3226 153.3
[M+K]+ 1087.2520 153.3
[M-H]- 1047.2815 153.3
[M+Na-2H]- 1069.2635 153.2
[M]+ 1048.2883 153.3
[M]- 1048.2893 153.3
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.