CID 139594225

Etfospeg, m=12

Structural Information

Molecular Formula
C36H58F17NO15S
SMILES
CCN(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C36H58F17NO15S/c1-2-54(70(56,57)36(52,53)34(47,48)32(43,44)30(39,40)29(37,38)31(41,42)33(45,46)35(49,50)51)3-5-58-7-9-60-11-13-62-15-17-64-19-21-66-23-25-68-27-28-69-26-24-67-22-20-65-18-16-63-14-12-61-10-8-59-6-4-55/h55H,2-28H2,1H3
InChIKey
ARVVMEDXNADRDG-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-hydroxyethoxy)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

1099.3256 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1100.3329 291.3
[M+Na]+ 1122.3148 286.7
[M-H]- 1098.3183 298.8
[M+NH4]+ 1117.3594 308.6
[M+K]+ 1138.2888 303.5
[M+H-H2O]+ 1082.3229 277.8
[M+HCOO]- 1144.3238 297.3
[M+CH3COO]- 1158.3395 314.6
[M+Na-2H]- 1120.3003 275.6
[M]+ 1099.3251 300.1
[M]- 1099.3261 300.1
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.