CID 4269795

49837-70-9

Structural Information

Molecular Formula

C₁₀H₆Cl₂N₂O

SMILES

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

InChI

InChI=1S/C10H6Cl2N2O/c11-9(12)8(6-13)14-10(15)7-4-2-1-3-5-7/h1-5H,(H,14,15)

InChIKey

ZLTCPVWAQLYTAF-UHFFFAOYSA-N

Compound name

N-(2,2-dichloro-1-cyanoethenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 239.98572 Da
Monoisotopic Mass: 2.7
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]+	240.99300	154.6
[M+Na]+	262.97494	164.3
[M-H]-	238.97844	157.1
[M+NH4]+	258.01954	171.0
[M+K]+	278.94888	158.0
[M+H-H2O]+	222.98298	143.9
[M+HCOO]-	284.98392	165.4
[M+CH3COO]-	298.99957	201.5
[M+Na-2H]-	260.96039	157.0
[M]+	239.98517	150.3
[M]-	239.98627	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe