CID 3715706

3-amino-n-(4-bromophenyl)-4-chlorobenzene-1-sulfonamide

Structural Information

Molecular Formula
C12H10BrClN2O2S
SMILES
C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)Cl)N)Br
InChI
InChI=1S/C12H10BrClN2O2S/c13-8-1-3-9(4-2-8)16-19(17,18)10-5-6-11(14)12(15)7-10/h1-7,16H,15H2
InChIKey
QUQGALBBEJXJRE-UHFFFAOYSA-N
Compound name
3-amino-N-(4-bromophenyl)-4-chlorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

359.9335 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.94078 160.1
[M+Na]+ 382.92272 173.0
[M-H]- 358.92622 169.4
[M+NH4]+ 377.96732 177.4
[M+K]+ 398.89666 157.8
[M+H-H2O]+ 342.93076 159.6
[M+HCOO]- 404.93170 173.7
[M+CH3COO]- 418.94735 207.9
[M+Na-2H]- 380.90817 166.2
[M]+ 359.93295 180.8
[M]- 359.93405 180.8
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

No patent data available for this compound.