CID 186979

78509-26-9

Structural Information

Molecular Formula

C₁₂H₈Cl₂O

SMILES

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

InChI

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

InChIKey

JCZRADIWFINIBN-UHFFFAOYSA-N

Compound name

2,3-dichloro-4-phenylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 237.99522 Da
Monoisotopic Mass: 4.9
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	145.5
[M+Na]+	260.98444	156.6
[M-H]-	236.98794	150.8
[M+NH4]+	256.02904	164.3
[M+K]+	276.95838	149.7
[M+H-H2O]+	220.99248	140.9
[M+HCOO]-	282.99342	159.6
[M+CH3COO]-	297.00907	158.8
[M+Na-2H]-	258.96989	150.9
[M]+	237.99467	148.1
[M]-	237.99577	148.1

Literature stripe

literature stripe

Patent stripe

patents stripe