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

1
Annotation Hits: 5
References: 2748
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]+	269.01308	154.1
[M+Na]+	290.99502	171.5
[M+NH4]+	286.03962	164.1
[M+K]+	306.96896	161.7
[M-H]-	266.99852	159.2
[M+Na-2H]-	288.98047	164.8
[M]+	268.00525	158.9
[M]-	268.00635	158.9

Literature stripe

literature stripe

Patent stripe

patents stripe