CID 693146

2-cyano-n-(2,4-dichlorophenyl)acetamide

Structural Information

Molecular Formula

C₉H₆Cl₂N₂O

SMILES

C1=CC(=C(C=C1Cl)Cl)NC(=O)CC#N

InChI

InChI=1S/C9H6Cl2N2O/c10-6-1-2-8(7(11)5-6)13-9(14)3-4-12/h1-2,5H,3H2,(H,13,14)

InChIKey

XSNWFABKENMBQB-UHFFFAOYSA-N

Compound name

2-cyano-N-(2,4-dichlorophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 227.98572 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]+	228.99300	143.1
[M+Na]+	250.97494	155.9
[M+NH4]+	246.01954	148.2
[M+K]+	266.94888	146.0
[M-H]-	226.97844	138.3
[M+Na-2H]-	248.96039	147.4
[M]+	227.98517	143.2
[M]-	227.98627	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe