CID 223179

4-(4-aminophenyl)sulfonyl-2-chloroaniline

Structural Information

Molecular Formula

C₁₂H₁₁ClN₂O₂S

SMILES

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

InChI

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

InChIKey

RUARXDOHHXUAHU-UHFFFAOYSA-N

Compound name

4-(4-aminophenyl)sulfonyl-2-chloroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 282.02298 Da
Monoisotopic Mass: 2.4
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	159.5
[M+Na]+	305.012198	169.5
[M-H]-	281.015704	166.2
[M+NH4]+	300.056803	176.0
[M+K]+	320.986138	162.9
[M+H-H2O]+	265.020240	153.7
[M+HCOO]-	327.021181	174.7
[M+CH3COO]-	341.036831	198.7
[M+Na-2H]-	302.997646	162.7
[M]+	282.02243142	160.9
[M]-	282.02352858	160.9

Literature stripe

literature stripe

Patent stripe

patents stripe