CID 5116898

Dichlorodiphenoxymethane

Structural Information

Molecular Formula

C₁₃H₁₀Cl₂O₂

SMILES

C1=CC=C(C=C1)OC(OC2=CC=CC=C2)(Cl)Cl

InChI

InChI=1S/C13H10Cl2O2/c14-13(15,16-11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h1-10H

InChIKey

TVIUSKXXXZSVJU-UHFFFAOYSA-N

Compound name

[dichloro(phenoxy)methoxy]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 200
Patents: 268.0058 Da
Monoisotopic Mass: 4.9
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]+	269.013076	154.7
[M+Na]+	290.995018	163.3
[M-H]-	266.998524	160.5
[M+NH4]+	286.039623	172.0
[M+K]+	306.968958	157.9
[M+H-H2O]+	251.003060	148.9
[M+HCOO]-	313.004001	168.5
[M+CH3COO]-	327.019651	191.9
[M+Na-2H]-	288.980466	162.6
[M]+	268.00525142	159.2
[M]-	268.00634858	159.2

Literature stripe

literature stripe

Patent stripe

patents stripe