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

2
Annotation Hits: 1
References: 152
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	155.2
[M+Na]+	289.01574	164.9
[M-H]-	265.01924	161.1
[M+NH4]+	284.06034	173.1
[M+K]+	304.98968	158.3
[M+H-H2O]+	249.02378	149.4
[M+HCOO]-	311.02472	170.0
[M+CH3COO]-	325.04037	194.6
[M+Na-2H]-	287.00119	160.5
[M]+	266.02597	159.8
[M]-	266.02707	159.8

Literature stripe

literature stripe

Patent stripe

patents stripe