CID 593571

34392-63-7

Structural Information

Molecular Formula

C₁₂H₁₀Cl₂N₂O₂S

SMILES

C1=CC(=CC=C1N)S(=O)(=O)NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C12H10Cl2N2O2S/c13-11-6-3-9(7-12(11)14)16-19(17,18)10-4-1-8(15)2-5-10/h1-7,16H,15H2

InChIKey

CDCMAMVXGZBIAX-UHFFFAOYSA-N

Compound name

4-amino-N-(3,4-dichlorophenyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 315.984 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	316.99128	165.2
[M+Na]+	338.97322	175.4
[M-H]-	314.97672	171.8
[M+NH4]+	334.01782	181.0
[M+K]+	354.94716	168.1
[M+H-H2O]+	298.98126	160.2
[M+HCOO]-	360.98220	176.0
[M+CH3COO]-	374.99785	203.6
[M+Na-2H]-	336.95867	168.7
[M]+	315.98345	168.8
[M]-	315.98455	168.8

Literature stripe

literature stripe

Patent stripe

patents stripe