CID 92347

53905-30-9

Structural Information

Molecular Formula

C₁₂H₈Cl₂O

SMILES

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

InChI

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

InChIKey

LKDWVOYFEVHMEJ-UHFFFAOYSA-N

Compound name

2-(2,5-dichlorophenyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 237.99522 Da
Monoisotopic Mass: 4.6
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]+	239.002496	145.5
[M+Na]+	260.984438	156.6
[M-H]-	236.987944	150.8
[M+NH4]+	256.029043	164.3
[M+K]+	276.958378	149.7
[M+H-H2O]+	220.992480	140.9
[M+HCOO]-	282.993421	159.6
[M+CH3COO]-	297.009071	158.8
[M+Na-2H]-	258.969886	150.9
[M]+	237.99467142	148.1
[M]-	237.99576858	148.1

Literature stripe

literature stripe

Patent stripe

patents stripe