CID 12346120

4-(4-chlorophenoxy)phenol

Structural Information

Molecular Formula

C₁₂H₉ClO₂

SMILES

C1=CC(=CC=C1O)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H9ClO2/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,14H

InChIKey

XQMRZWSYBUCVAX-UHFFFAOYSA-N

Compound name

4-(4-chlorophenoxy)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 204
Patents: 220.02911 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]+	221.03639	143.8
[M+Na]+	243.01833	160.4
[M+NH4]+	238.06293	153.7
[M+K]+	258.99227	151.9
[M-H]-	219.02183	148.7
[M+Na-2H]-	241.00378	154.4
[M]+	220.02856	148.1
[M]-	220.02966	148.1

Literature stripe

literature stripe

Patent stripe

patents stripe