CID 139596565

Etfospeg, m=10

Structural Information

Molecular Formula
C32H50F17NO13S
SMILES
CCN(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C32H50F17NO13S/c1-2-50(64(52,53)32(48,49)30(43,44)28(39,40)26(35,36)25(33,34)27(37,38)29(41,42)31(45,46)47)3-5-54-7-9-56-11-13-58-15-17-60-19-21-62-23-24-63-22-20-61-18-16-59-14-12-57-10-8-55-6-4-51/h51H,2-24H2,1H3
InChIKey
PEZFQVKGXTXLFT-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-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]octane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1011.27313 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1012.2804 157.2
[M+Na]+ 1034.2623 157.2
[M+NH4]+ 1029.3070 157.3
[M+K]+ 1050.2363 157.3
[M-H]- 1010.2659 157.1
[M+Na-2H]- 1032.2478 156.9
[M]+ 1011.2726 157.2
[M]- 1011.2737 157.2
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.