CID 14439589

Etfospeg, m=13

Structural Information

Molecular Formula
C38H62F17NO16S
SMILES
CCN(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C38H62F17NO16S/c1-2-56(73(58,59)38(54,55)36(49,50)34(45,46)32(41,42)31(39,40)33(43,44)35(47,48)37(51,52)53)3-5-60-7-9-62-11-13-64-15-17-66-19-21-68-23-25-70-27-29-72-30-28-71-26-24-69-22-20-67-18-16-65-14-12-63-10-8-61-6-4-57/h57H,2-30H2,1H3
InChIKey
SRUUXDQSDCVXKD-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-hydroxyethoxy)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

1143.3518 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1144.3591 301.6
[M+Na]+ 1166.3410 296.2
[M-H]- 1142.3445 308.9
[M+NH4]+ 1161.3856 319.4
[M+K]+ 1182.3150 313.5
[M+H-H2O]+ 1126.3491 288.1
[M+HCOO]- 1188.3500 306.6
[M+CH3COO]- 1202.3657 319.1
[M+Na-2H]- 1164.3265 284.8
[M]+ 1143.3513 311.9
[M]- 1143.3523 311.9
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.