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]+ 374.95641 164.5
[M+Na]+ 396.93835 177.7
[M-H]- 372.94185 174.0
[M+NH4]+ 391.98295 181.6
[M+K]+ 412.91229 162.4
[M+H-H2O]+ 356.94639 163.9
[M+HCOO]- 418.94733 177.7
[M+CH3COO]- 432.96298 211.8
[M+Na-2H]- 394.92380 169.5
[M]+ 373.94858 185.8
[M]- 373.94968 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.