CID 2778398

2-bromo-4-(trifluoromethyl)benzenesulfonamide

Structural Information

Molecular Formula
C7H5BrF3NO2S
SMILES
C1=CC(=C(C=C1C(F)(F)F)Br)S(=O)(=O)N
InChI
InChI=1S/C7H5BrF3NO2S/c8-5-3-4(7(9,10)11)1-2-6(5)15(12,13)14/h1-3H,(H2,12,13,14)
InChIKey
IJUIBMWZUXWVLI-UHFFFAOYSA-N
Compound name
2-bromo-4-(trifluoromethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

302.91766 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.92494 146.4
[M+Na]+ 325.90688 159.9
[M-H]- 301.91038 149.2
[M+NH4]+ 320.95148 165.4
[M+K]+ 341.88082 146.7
[M+H-H2O]+ 285.91492 144.2
[M+HCOO]- 347.91586 159.1
[M+CH3COO]- 361.93151 195.9
[M+Na-2H]- 323.89233 151.6
[M]+ 302.91711 162.0
[M]- 302.91821 162.0
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