CID 3773027

5-amino-n-(2-bromo-5-methylphenyl)-2-chlorobenzene-1-sulfonamide

Structural Information

Molecular Formula
C13H12BrClN2O2S
SMILES
CC1=CC(=C(C=C1)Br)NS(=O)(=O)C2=C(C=CC(=C2)N)Cl
InChI
InChI=1S/C13H12BrClN2O2S/c1-8-2-4-10(14)12(6-8)17-20(18,19)13-7-9(16)3-5-11(13)15/h2-7,17H,16H2,1H3
InChIKey
LDISQJQGSJXSLZ-UHFFFAOYSA-N
Compound name
5-amino-N-(2-bromo-5-methylphenyl)-2-chlorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.94913 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.956406 164.5
[M+Na]+ 396.938348 177.7
[M-H]- 372.941854 174.0
[M+NH4]+ 391.982953 181.6
[M+K]+ 412.912288 162.4
[M+H-H2O]+ 356.946390 163.9
[M+HCOO]- 418.947331 177.7
[M+CH3COO]- 432.962981 211.8
[M+Na-2H]- 394.923796 169.5
[M]+ 373.94858142 185.8
[M]- 373.94967858 185.8
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.