CID 263663

P-chlorobenzylidenecyanoacetamide

Structural Information

Molecular Formula

C₁₀H₇ClN₂O

SMILES

C1=CC(=CC=C1C=C(C#N)C(=O)N)Cl

InChI

InChI=1S/C10H7ClN2O/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H2,13,14)

InChIKey

CXTSJKVCXQOGCX-UHFFFAOYSA-N

Compound name

3-(4-chlorophenyl)-2-cyanoprop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 206.02469 Da
Monoisotopic Mass: 2.2
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]+	207.03197	148.5
[M+Na]+	229.01391	158.6
[M-H]-	205.01741	151.3
[M+NH4]+	224.05851	165.7
[M+K]+	244.98785	153.3
[M+H-H2O]+	189.02195	137.0
[M+HCOO]-	251.02289	164.0
[M+CH3COO]-	265.03854	197.7
[M+Na-2H]-	226.99936	151.0
[M]+	206.02414	143.0
[M]-	206.02524	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe