CID 4054243

4-(trifluoromethylthio)benzenesulfonamide

Structural Information

Molecular Formula
C7H6F3NO2S2
SMILES
C1=CC(=CC=C1SC(F)(F)F)S(=O)(=O)N
InChI
InChI=1S/C7H6F3NO2S2/c8-7(9,10)14-5-1-3-6(4-2-5)15(11,12)13/h1-4H,(H2,11,12,13)
InChIKey
KRJKMVQGNLIIPB-UHFFFAOYSA-N
Compound name
4-(trifluoromethylsulfanyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.97922 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.98650 146.0
[M+Na]+ 279.96844 155.0
[M-H]- 255.97194 145.0
[M+NH4]+ 275.01304 162.6
[M+K]+ 295.94238 149.5
[M+H-H2O]+ 239.97648 137.6
[M+HCOO]- 301.97742 154.8
[M+CH3COO]- 315.99307 189.9
[M+Na-2H]- 277.95389 148.4
[M]+ 256.97867 143.3
[M]- 256.97977 143.3
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.