CID 11155

Bis(p-chlorophenoxy)methane

Structural Information

Molecular Formula

C₁₃H₁₀Cl₂O₂

SMILES

C1=CC(=CC=C1OCOC2=CC=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H10Cl2O2/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13/h1-8H,9H2

InChIKey

COVKSLBAQCJQMS-UHFFFAOYSA-N

Compound name

1-chloro-4-[(4-chlorophenoxy)methoxy]benzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 2662
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	153.3
[M+Na]+	290.995018	163.4
[M-H]-	266.998524	159.5
[M+NH4]+	286.039623	171.2
[M+K]+	306.968958	157.7
[M+H-H2O]+	251.003060	147.6
[M+HCOO]-	313.004001	168.8
[M+CH3COO]-	327.019651	193.7
[M+Na-2H]-	288.980466	159.3
[M]+	268.00525142	159.1
[M]-	268.00634858	159.1

Literature stripe

literature stripe

Patent stripe

patents stripe