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

10
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 143.8
[M+Na]+ 281.95739 154.9
[M-H]- 257.96089 144.1
[M+NH4]+ 277.00199 161.8
[M+K]+ 297.93133 149.5
[M+H-H2O]+ 241.96543 137.2
[M+HCOO]- 303.96637 154.1
[M+CH3COO]- 317.98202 190.1
[M+Na-2H]- 279.94284 147.3
[M]+ 258.96762 142.9
[M]- 258.96872 142.9
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