CID 2778392

4-bromo-2-(trifluoromethyl)benzenesulfonamide

Structural Information

Molecular Formula
C7H5BrF3NO2S
SMILES
C1=CC(=C(C=C1Br)C(F)(F)F)S(=O)(=O)N
InChI
InChI=1S/C7H5BrF3NO2S/c8-4-1-2-6(15(12,13)14)5(3-4)7(9,10)11/h1-3H,(H2,12,13,14)
InChIKey
AHFGKYBAYSEBPR-UHFFFAOYSA-N
Compound name
4-bromo-2-(trifluoromethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

302.91766 Da
Monoisotopic Mass

2.1
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

No literature data available for this compound.

Patent stripe

patents stripe