CID 960654

N-(4-aminophenyl)-4-chlorobenzamide

Structural Information

Molecular Formula

C₁₃H₁₁ClN₂O

SMILES

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)N)Cl

InChI

InChI=1S/C13H11ClN2O/c14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12/h1-8H,15H2,(H,16,17)

InChIKey

CYSQNIFSCOEHDN-UHFFFAOYSA-N

Compound name

N-(4-aminophenyl)-4-chlorobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 100
Patents: 246.05598 Da
Monoisotopic Mass: 2.6
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]+	247.063256	153.5
[M+Na]+	269.045198	161.6
[M-H]-	245.048704	160.0
[M+NH4]+	264.089803	170.8
[M+K]+	285.019138	156.1
[M+H-H2O]+	229.053240	146.9
[M+HCOO]-	291.054181	174.5
[M+CH3COO]-	305.069831	195.7
[M+Na-2H]-	267.030646	158.5
[M]+	246.05543142	152.9
[M]-	246.05652858	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe