CID 205267

17722-18-8

Structural Information

Molecular Formula

C₉H₉ClN₂O₂

SMILES

C1=CC(=CC=C1NC(=O)CC(=O)N)Cl

InChI

InChI=1S/C9H9ClN2O2/c10-6-1-3-7(4-2-6)12-9(14)5-8(11)13/h1-4H,5H2,(H2,11,13)(H,12,14)

InChIKey

ODEPPSLXVFSIRO-UHFFFAOYSA-N

Compound name

N'-(4-chlorophenyl)propanediamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 212.03525 Da
Monoisotopic Mass: 1.7
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]+	213.04253	143.2
[M+Na]+	235.02447	154.0
[M+NH4]+	230.06907	150.6
[M+K]+	250.99841	148.7
[M-H]-	211.02797	145.0
[M+Na-2H]-	233.00992	148.8
[M]+	212.03470	145.2
[M]-	212.03580	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe