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

73
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 153.1
[M+Na]+ 325.90688 152.8
[M+NH4]+ 320.95148 155.0
[M+K]+ 341.88082 153.2
[M-H]- 301.91038 148.6
[M+Na-2H]- 323.89233 153.5
[M]+ 302.91711 150.8
[M]- 302.91821 150.8
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