CID 67028

117-71-5

Structural Information

Molecular Formula

C₁₂H₉ClO₂

SMILES

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

InChI

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

InChIKey

XRKJFSFMYUQOSD-UHFFFAOYSA-N

Compound name

2-(2-chlorophenyl)benzene-1,4-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 261
Patents: 220.02911 Da
Monoisotopic Mass: 3.6
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	144.1
[M+Na]+	243.01833	160.5
[M+NH4]+	238.06293	153.6
[M+K]+	258.99227	152.5
[M-H]-	219.02183	148.5
[M+Na-2H]-	241.00378	153.8
[M]+	220.02856	148.2
[M]-	220.02966	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe