CID 2778389

4-bromo-3-(trifluoromethyl)benzenesulfonamide

Structural Information

Molecular Formula
C7H5BrF3NO2S
SMILES
C1=CC(=C(C=C1S(=O)(=O)N)C(F)(F)F)Br
InChI
InChI=1S/C7H5BrF3NO2S/c8-6-2-1-4(15(12,13)14)3-5(6)7(9,10)11/h1-3H,(H2,12,13,14)
InChIKey
GQUUOLHRLZCAIO-UHFFFAOYSA-N
Compound name
4-bromo-3-(trifluoromethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

302.91766 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.924936 146.4
[M+Na]+ 325.906878 159.9
[M-H]- 301.910384 149.2
[M+NH4]+ 320.951483 165.4
[M+K]+ 341.880818 146.7
[M+H-H2O]+ 285.914920 144.2
[M+HCOO]- 347.915861 159.1
[M+CH3COO]- 361.931511 195.9
[M+Na-2H]- 323.892326 151.6
[M]+ 302.91711142 162.0
[M]- 302.91820858 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