CID 2758394

2,3-dimethoxybenzyl chloride

Structural Information

Molecular Formula

C₉H₁₁ClO₂

SMILES

COC1=CC=CC(=C1OC)CCl

InChI

InChI=1S/C9H11ClO2/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-5H,6H2,1-2H3

InChIKey

MJRVJLUCLPUZER-UHFFFAOYSA-N

Compound name

1-(chloromethyl)-2,3-dimethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 127
Patents: 186.04475 Da
Monoisotopic Mass: 2.3
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]+	187.05203	134.6
[M+Na]+	209.03397	149.3
[M+NH4]+	204.07857	144.1
[M+K]+	225.00791	141.9
[M-H]-	185.03747	137.3
[M+Na-2H]-	207.01942	142.4
[M]+	186.04420	137.9
[M]-	186.04530	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe