CID 41869

Bis(p-chlorobenzyl) ether

Structural Information

Molecular Formula

C₁₄H₁₂Cl₂O

SMILES

C1=CC(=CC=C1COCC2=CC=C(C=C2)Cl)Cl

InChI

InChI=1S/C14H12Cl2O/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-8H,9-10H2

InChIKey

REXQTRHCVRPOMB-UHFFFAOYSA-N

Compound name

1-chloro-4-[(4-chlorophenyl)methoxymethyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 116
Patents: 266.02652 Da
Monoisotopic Mass: 4.3
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]+	267.03380	156.0
[M+Na]+	289.01574	173.6
[M+NH4]+	284.06034	166.4
[M+K]+	304.98968	163.1
[M-H]-	265.01924	161.5
[M+Na-2H]-	287.00119	166.7
[M]+	266.02597	161.0
[M]-	266.02707	161.0

Literature stripe

literature stripe

Patent stripe

patents stripe