CID 62123

1,4-bis(chloromethoxymethyl)benzene

Structural Information

Molecular Formula

C₁₀H₁₂Cl₂O₂

SMILES

C1=CC(=CC=C1COCCl)COCCl

InChI

InChI=1S/C10H12Cl2O2/c11-7-13-5-9-1-2-10(4-3-9)6-14-8-12/h1-4H,5-8H2

InChIKey

BXIVHTWXKYBJEM-UHFFFAOYSA-N

Compound name

1,4-bis(chloromethoxymethyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 9
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	145.4
[M+Na]+	257.01066	159.9
[M+NH4]+	252.05526	154.6
[M+K]+	272.98460	151.3
[M-H]-	233.01416	147.7
[M+Na-2H]-	254.99611	152.9
[M]+	234.02089	148.8
[M]-	234.02199	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe