CID 17856182

N-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-n-methylbutane-1-sulfonamide

Structural Information

Molecular Formula
C7H8F9NO2S
SMILES
CCN(C)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H8F9NO2S/c1-3-17(2)20(18,19)7(15,16)5(10,11)4(8,9)6(12,13)14/h3H2,1-2H3
InChIKey
VQFOWJGPZJPHPF-UHFFFAOYSA-N
Compound name
N-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

341.0132 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.02048 158.2
[M+Na]+ 364.00242 166.3
[M-H]- 340.00592 149.0
[M+NH4]+ 359.04702 171.5
[M+K]+ 379.97636 164.4
[M+H-H2O]+ 324.01046 146.3
[M+HCOO]- 386.01140 161.5
[M+CH3COO]- 400.02705 211.7
[M+Na-2H]- 361.98787 161.2
[M]+ 341.01265 148.5
[M]- 341.01375 148.5
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