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

73
Patents

246.05598 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.06326 153.7
[M+Na]+ 269.04520 167.8
[M+NH4]+ 264.08980 162.6
[M+K]+ 285.01914 160.0
[M-H]- 245.04870 159.3
[M+Na-2H]- 267.03065 163.2
[M]+ 246.05543 157.6
[M]- 246.05653 157.6
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

patents stripe