CID 3694545

327092-99-9

Structural Information

Molecular Formula

C₁₂H₁₁ClN₂O₂S

SMILES

C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=CC(=C2)N)Cl

InChI

InChI=1S/C12H11ClN2O2S/c13-11-6-1-2-7-12(11)15-18(16,17)10-5-3-4-9(14)8-10/h1-8,15H,14H2

InChIKey

KAJGFQWVVOEZJQ-UHFFFAOYSA-N

Compound name

3-amino-N-(2-chlorophenyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 282.02298 Da
Monoisotopic Mass: 2.0
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]+	283.030256	158.9
[M+Na]+	305.012198	168.1
[M-H]-	281.015704	165.8
[M+NH4]+	300.056803	175.3
[M+K]+	320.986138	161.7
[M+H-H2O]+	265.020240	152.8
[M+HCOO]-	327.021181	174.8
[M+CH3COO]-	341.036831	198.0
[M+Na-2H]-	302.997646	163.9
[M]+	282.02243142	160.9
[M]-	282.02352858	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe