CID 139596375

Etfospeg, m=14

Structural Information

Molecular Formula
C40H66F17NO17S
SMILES
CCN(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C40H66F17NO17S/c1-2-58(76(60,61)40(56,57)38(51,52)36(47,48)34(43,44)33(41,42)35(45,46)37(49,50)39(53,54)55)3-5-62-7-9-64-11-13-66-15-17-68-19-21-70-23-25-72-27-29-74-31-32-75-30-28-73-26-24-71-22-20-69-18-16-67-14-12-65-10-8-63-6-4-59/h59H,2-32H2,1H3
InChIKey
ODMRBANYFAUUFW-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-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]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

1187.378 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1188.3853 312.0
[M+Na]+ 1210.3672 306.0
[M-H]- 1186.3707 319.1
[M+NH4]+ 1205.4118 330.4
[M+K]+ 1226.3412 323.7
[M+H-H2O]+ 1170.3753 298.4
[M+HCOO]- 1232.3762 316.0
[M+CH3COO]- 1246.3919 323.5
[M+Na-2H]- 1208.3527 294.1
[M]+ 1187.3775 323.9
[M]- 1187.3785 323.9
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.