CID 5176868

3-amino-n-(2-bromo-5-methylphenyl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C13H13BrN2O2S
SMILES
CC1=CC(=C(C=C1)Br)NS(=O)(=O)C2=CC=CC(=C2)N
InChI
InChI=1S/C13H13BrN2O2S/c1-9-5-6-12(14)13(7-9)16-19(17,18)11-4-2-3-10(15)8-11/h2-8,16H,15H2,1H3
InChIKey
PXDRGEJMBMBOGC-UHFFFAOYSA-N
Compound name
3-amino-N-(2-bromo-5-methylphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.9881 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.99538 158.9
[M+Na]+ 362.97732 170.4
[M-H]- 338.98082 167.9
[M+NH4]+ 358.02192 176.0
[M+K]+ 378.95126 156.6
[M+H-H2O]+ 322.98536 157.2
[M+HCOO]- 384.98630 176.4
[M+CH3COO]- 399.00195 207.3
[M+Na-2H]- 360.96277 164.7
[M]+ 339.98755 177.8
[M]- 339.98865 177.8
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

No patent data available for this compound.