CID 11806394

39856-08-1

Structural Information

Molecular Formula

C₁₁H₁₁ClO₃

SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)Cl)OC

InChI

InChI=1S/C11H11ClO3/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3/b6-4+

InChIKey

HGDZRSNJGRIAKS-GQCTYLIASA-N

Compound name

(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 125
Patents: 226.03967 Da
Monoisotopic Mass: 2.8
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]+	227.04695	145.4
[M+Na]+	249.02889	158.9
[M+NH4]+	244.07349	153.2
[M+K]+	265.00283	152.2
[M-H]-	225.03239	146.7
[M+Na-2H]-	247.01434	151.5
[M]+	226.03912	147.9
[M]-	226.04022	147.9

Literature stripe

literature stripe

Patent stripe

patents stripe