CID 2774980

175136-00-2

Structural Information

Molecular Formula

C₁₁H₁₀Cl₂O₃

SMILES

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

InChI

InChI=1S/C11H10Cl2O3/c1-15-8-5-3-7(4-6-9(12)14)10(13)11(8)16-2/h3-6H,1-2H3

InChIKey

LUJOUFWJHFXYKV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 260.0007 Da
Monoisotopic Mass: 3.4
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]+	261.007976	149.1
[M+Na]+	282.989918	159.9
[M-H]-	258.993424	152.8
[M+NH4]+	278.034523	167.9
[M+K]+	298.963858	155.0
[M+H-H2O]+	242.997960	145.4
[M+HCOO]-	304.998901	163.6
[M+CH3COO]-	319.014551	193.7
[M+Na-2H]-	280.975366	152.0
[M]+	260.00015142	156.2
[M]-	260.00124858	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe