CID 87269

N-(4-chlorophenyl)-2-cyanoacetamide

Structural Information

Molecular Formula

C₉H₇ClN₂O

SMILES

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

InChI

InChI=1S/C9H7ClN2O/c10-7-1-3-8(4-2-7)12-9(13)5-6-11/h1-4H,5H2,(H,12,13)

InChIKey

FLLVVAHFEBGZKD-UHFFFAOYSA-N

Compound name

N-(4-chlorophenyl)-2-cyanoacetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 68
Patents: 194.02469 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]+	195.03197	140.2
[M+Na]+	217.01391	152.3
[M+NH4]+	212.05851	145.2
[M+K]+	232.98785	142.6
[M-H]-	193.01741	135.3
[M+Na-2H]-	214.99936	144.6
[M]+	194.02414	139.9
[M]-	194.02524	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe