CID 17126

2444-89-5

Structural Information

Molecular Formula

C₁₂H₈Cl₂O

SMILES

C1=CC(=CC=C1OC2=CC=C(C=C2)Cl)Cl

InChI

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

InChIKey

URUJZHZLCCIILC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2213
Patents: 237.99522 Da
Monoisotopic Mass: 4.0
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]+	239.00250	145.8
[M+Na]+	260.98444	156.4
[M-H]-	236.98794	152.1
[M+NH4]+	256.02904	164.9
[M+K]+	276.95838	150.3
[M+H-H2O]+	220.99248	140.4
[M+HCOO]-	282.99342	161.3
[M+CH3COO]-	297.00907	159.4
[M+Na-2H]-	258.96989	152.2
[M]+	237.99467	149.7
[M]-	237.99577	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe