CID 10081983

166322-67-4

Structural Information

Molecular Formula

C₁₀H₁₁ClO₃

SMILES

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

InChI

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

InChIKey

CWVSEGISKNEBPD-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-4,6-dimethoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 214.03967 Da
Monoisotopic Mass: 1.7
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	141.0
[M+Na]+	237.02889	155.5
[M+NH4]+	232.07349	149.4
[M+K]+	253.00283	148.4
[M-H]-	213.03239	142.9
[M+Na-2H]-	235.01434	147.7
[M]+	214.03912	143.9
[M]-	214.04022	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe