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
2
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 271.3
[M+Na]+ 1034.2623 268.1
[M-H]- 1010.2659 279.1
[M+NH4]+ 1029.3070 287.6
[M+K]+ 1050.2363 283.8
[M+H-H2O]+ 994.27039 258.0
[M+HCOO]- 1056.2713 279.3
[M+CH3COO]- 1070.2870 304.9
[M+Na-2H]- 1032.2478 257.8
[M]+ 1011.2726 277.4
[M]- 1011.2737 277.4
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.