CID 2446821

5-bromo-2-methylbenzene-1-sulfonamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

103
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

literature stripe

Patent stripe

patents stripe