CID 81283

3,4'-dichlorodiphenyl ether

Structural Information

Molecular Formula

C₁₂H₈Cl₂O

SMILES

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

InChI

InChI=1S/C12H8Cl2O/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H

InChIKey

HPRGYUWRGCTBAV-UHFFFAOYSA-N

Compound name

1-chloro-3-(4-chlorophenoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 197
Patents: 237.99522 Da
Monoisotopic Mass: 5.2
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]+	239.002496	145.8
[M+Na]+	260.984438	156.4
[M-H]-	236.987944	152.1
[M+NH4]+	256.029043	164.9
[M+K]+	276.958378	150.3
[M+H-H2O]+	220.992480	140.4
[M+HCOO]-	282.993421	161.3
[M+CH3COO]-	297.009071	159.4
[M+Na-2H]-	258.969886	152.2
[M]+	237.99467142	149.7
[M]-	237.99576858	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe