CID 2779028

Ethanesulfonamide, 1,1,2,2,2-pentafluoro-n-((pentafluoroethyl)sulfonyl)-

Structural Information

Molecular Formula
C4HF10NO4S2
SMILES
C(C(F)(F)S(=O)(=O)NS(=O)(=O)C(C(F)(F)F)(F)F)(F)(F)F
InChI
InChI=1S/C4HF10NO4S2/c5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10/h15H
InChIKey
DOYSIZKQWJYULQ-UHFFFAOYSA-N
Compound name
1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

36068
Patents

380.91873 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.92601 160.1
[M+Na]+ 403.90795 167.9
[M-H]- 379.91145 147.8
[M+NH4]+ 398.95255 170.3
[M+K]+ 419.88189 163.8
[M+H-H2O]+ 363.91599 147.2
[M+HCOO]- 425.91693 157.0
[M+CH3COO]- 439.93258 209.0
[M+Na-2H]- 401.89340 165.0
[M]+ 380.91818 148.1
[M]- 380.91928 148.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe