CID 245062

6622-31-7

Structural Information

Molecular Formula
C12H11Cl2N3O2S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NC2=CC(=C(C(=C2)Cl)N)Cl
InChI
InChI=1S/C12H11Cl2N3O2S/c13-10-5-8(6-11(14)12(10)16)17-20(18,19)9-3-1-7(15)2-4-9/h1-6,17H,15-16H2
InChIKey
VULKEVIUCLYDGV-UHFFFAOYSA-N
Compound name
4-amino-N-(4-amino-3,5-dichlorophenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

330.9949 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.00218 170.0
[M+Na]+ 353.98412 180.0
[M-H]- 329.98762 176.2
[M+NH4]+ 349.02872 184.8
[M+K]+ 369.95806 172.5
[M+H-H2O]+ 313.99216 164.9
[M+HCOO]- 375.99310 181.1
[M+CH3COO]- 390.00875 209.5
[M+Na-2H]- 351.96957 172.4
[M]+ 330.99435 172.3
[M]- 330.99545 172.3
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.