CID 843322

61767-26-8

Structural Information

Molecular Formula

C₁₁H₈Cl₂N₂O

SMILES

CC1=CC=C(C=C1)C(=O)NC(=C(Cl)Cl)C#N

InChI

InChI=1S/C11H8Cl2N2O/c1-7-2-4-8(5-3-7)11(16)15-9(6-14)10(12)13/h2-5H,1H3,(H,15,16)

InChIKey

NAZVTDQQLCHPDT-UHFFFAOYSA-N

Compound name

N-(2,2-dichloro-1-cyanoethenyl)-4-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 254.00137 Da
Monoisotopic Mass: 3.1
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]+	255.00865	158.1
[M+Na]+	276.99059	168.2
[M-H]-	252.99409	160.8
[M+NH4]+	272.03519	174.3
[M+K]+	292.96453	161.8
[M+H-H2O]+	236.99863	147.5
[M+HCOO]-	298.99957	168.6
[M+CH3COO]-	313.01522	205.2
[M+Na-2H]-	274.97604	159.4
[M]+	254.00082	154.4
[M]-	254.00192	154.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.