CID 29979

Acrylanilide, 2-chloro-4'-methoxy-

Structural Information

Molecular Formula

C₁₀H₁₀ClNO₂

SMILES

COC1=CC=C(C=C1)NC(=O)C(=C)Cl

InChI

InChI=1S/C10H10ClNO2/c1-7(11)10(13)12-8-3-5-9(14-2)6-4-8/h3-6H,1H2,2H3,(H,12,13)

InChIKey

IWNLJOLKSABWQH-UHFFFAOYSA-N

Compound name

2-chloro-N-(4-methoxyphenyl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 211.04001 Da
Monoisotopic Mass: 2.5
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]+	212.04729	142.9
[M+Na]+	234.02923	150.9
[M-H]-	210.03273	146.7
[M+NH4]+	229.07383	162.3
[M+K]+	250.00317	147.4
[M+H-H2O]+	194.03727	137.9
[M+HCOO]-	256.03821	162.6
[M+CH3COO]-	270.05386	187.4
[M+Na-2H]-	232.01468	147.3
[M]+	211.03946	145.1
[M]-	211.04056	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe