CID 44629789

2,6-bis(chloromethyl)-1,4-dimethoxybenzene

Structural Information

Molecular Formula

C₁₀H₁₂Cl₂O₂

SMILES

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

InChI

InChI=1S/C10H12Cl2O2/c1-13-9-3-7(5-11)10(14-2)8(4-9)6-12/h3-4H,5-6H2,1-2H3

InChIKey

YMYUSUWLRACOTR-UHFFFAOYSA-N

Compound name

1,3-bis(chloromethyl)-2,5-dimethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 234.02144 Da
Monoisotopic Mass: 2.6
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]+	235.02872	144.6
[M+Na]+	257.01066	159.9
[M+NH4]+	252.05526	153.8
[M+K]+	272.98460	151.7
[M-H]-	233.01416	147.0
[M+Na-2H]-	254.99611	151.8
[M]+	234.02089	148.2
[M]-	234.02199	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe