CID 5152223

2-chloro-n-(2-cyanophenyl)propanamide

Structural Information

Molecular Formula

C₁₀H₉ClN₂O

SMILES

CC(C(=O)NC1=CC=CC=C1C#N)Cl

InChI

InChI=1S/C10H9ClN2O/c1-7(11)10(14)13-9-5-3-2-4-8(9)6-12/h2-5,7H,1H3,(H,13,14)

InChIKey

MZYSTFJMQJLNJX-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-cyanophenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 208.04034 Da
Monoisotopic Mass: 1.6
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]+	209.047616	147.4
[M+Na]+	231.029558	157.3
[M-H]-	207.033064	150.7
[M+NH4]+	226.074163	164.9
[M+K]+	247.003498	152.8
[M+H-H2O]+	191.037600	135.9
[M+HCOO]-	253.038541	163.4
[M+CH3COO]-	267.054191	199.1
[M+Na-2H]-	229.015006	151.1
[M]+	208.03979142	143.5
[M]-	208.04088858	143.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.