CID 2737409

4-bromo-3-methylbenzenesulfonamide

Structural Information

Molecular Formula
C7H8BrNO2S
SMILES
CC1=C(C=CC(=C1)S(=O)(=O)N)Br
InChI
InChI=1S/C7H8BrNO2S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,1H3,(H2,9,10,11)
InChIKey
KRUSKWRPOCHSGC-UHFFFAOYSA-N
Compound name
4-bromo-3-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

248.9459 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.953176 134.6
[M+Na]+ 271.935118 147.8
[M-H]- 247.938624 141.3
[M+NH4]+ 266.979723 155.9
[M+K]+ 287.909058 135.5
[M+H-H2O]+ 231.943160 134.8
[M+HCOO]- 293.944101 151.8
[M+CH3COO]- 307.959751 188.5
[M+Na-2H]- 269.920566 140.9
[M]+ 248.94535142 154.2
[M]- 248.94644858 154.2
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