CID 139595047

Etfospeg, m=11

Structural Information

Molecular Formula
C34H54F17NO14S
SMILES
CCN(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)S(=O)(=O)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
InChI
InChI=1S/C34H54F17NO14S/c1-2-52(67(54,55)34(50,51)32(45,46)30(41,42)28(37,38)27(35,36)29(39,40)31(43,44)33(47,48)49)3-5-56-7-9-58-11-13-60-15-17-62-19-21-64-23-25-66-26-24-65-22-20-63-18-16-61-14-12-59-10-8-57-6-4-53/h53H,2-26H2,1H3
InChIKey
GFMUEDIKYIBDGG-UHFFFAOYSA-N
Compound name
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]octane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1055.2993 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1056.3066 281.2
[M+Na]+ 1078.2885 277.3
[M-H]- 1054.2920 288.9
[M+NH4]+ 1073.3331 298.0
[M+K]+ 1094.2625 293.6
[M+H-H2O]+ 1038.2966 267.8
[M+HCOO]- 1100.2975 288.3
[M+CH3COO]- 1114.3132 309.8
[M+Na-2H]- 1076.2740 266.6
[M]+ 1055.2988 288.6
[M]- 1055.2998 288.6
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.