CID 2773925

2-chloro-4-(trifluoromethyl)benzenesulfonamide

Structural Information

Molecular Formula
C7H5ClF3NO2S
SMILES
C1=CC(=C(C=C1C(F)(F)F)Cl)S(=O)(=O)N
InChI
InChI=1S/C7H5ClF3NO2S/c8-5-3-4(7(9,10)11)1-2-6(5)15(12,13)14/h1-3H,(H2,12,13,14)
InChIKey
ZKBZHFCXIXOBTJ-UHFFFAOYSA-N
Compound name
2-chloro-4-(trifluoromethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

258.96817 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.97545 150.9
[M+Na]+ 281.95739 159.1
[M+NH4]+ 277.00199 156.0
[M+K]+ 297.93133 153.6
[M-H]- 257.96089 147.1
[M+Na-2H]- 279.94284 154.0
[M]+ 258.96762 151.4
[M]- 258.96872 151.4
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