CID 3870493

4783-90-8

Structural Information

Molecular Formula

C₁₀H₁₁ClO₃

SMILES

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

InChI

InChI=1S/C10H11ClO3/c1-13-7-3-4-8(9(12)6-11)10(5-7)14-2/h3-5H,6H2,1-2H3

InChIKey

CWNPZROBLGHLIW-UHFFFAOYSA-N

Compound name

2-chloro-1-(2,4-dimethoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 214.03967 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]+	215.04695	140.9
[M+Na]+	237.02889	150.5
[M-H]-	213.03239	145.0
[M+NH4]+	232.07349	160.9
[M+K]+	253.00283	147.9
[M+H-H2O]+	197.03693	136.2
[M+HCOO]-	259.03787	160.5
[M+CH3COO]-	273.05352	186.5
[M+Na-2H]-	235.01434	145.7
[M]+	214.03912	147.0
[M]-	214.04022	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe