CID 170402

40630-65-7

Structural Information

Molecular Formula
C7H6F9NO2S
SMILES
C=CCNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H6F9NO2S/c1-2-3-17-20(18,19)7(15,16)5(10,11)4(8,9)6(12,13)14/h2,17H,1,3H2
InChIKey
CZDUSUUDDSHUFI-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,4-nonafluoro-N-prop-2-enylbutane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

338.99756 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.00484 190.4
[M+Na]+ 361.98678 190.2
[M+NH4]+ 357.03138 189.2
[M+K]+ 377.96072 187.4
[M-H]- 337.99028 181.7
[M+Na-2H]- 359.97223 186.6
[M]+ 338.99701 187.7
[M]- 338.99811 187.7
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

patents stripe