CID 170402

Einecs 255-013-6

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
3
Annotation Hits

0
References

6
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 158.4
[M+Na]+ 361.98678 166.5
[M-H]- 337.99028 147.6
[M+NH4]+ 357.03138 171.0
[M+K]+ 377.96072 162.7
[M+H-H2O]+ 321.99482 146.7
[M+HCOO]- 383.99576 161.3
[M+CH3COO]- 398.01141 207.4
[M+Na-2H]- 359.97223 161.9
[M]+ 338.99701 146.8
[M]- 338.99811 146.8
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