CID 21419

4,6-dichloro-2-phenylphenol

Structural Information

Molecular Formula

C₁₂H₈Cl₂O

SMILES

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

InChI

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

InChIKey

AFXPPGXJWHJULD-UHFFFAOYSA-N

Compound name

2,4-dichloro-6-phenylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 36
Patents: 237.99522 Da
Monoisotopic Mass: 4.4
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	147.0
[M+Na]+	260.98444	164.8
[M+NH4]+	256.02904	157.4
[M+K]+	276.95838	155.3
[M-H]-	236.98794	152.2
[M+Na-2H]-	258.96989	157.5
[M]+	237.99467	151.9
[M]-	237.99577	151.9

Literature stripe

literature stripe

Patent stripe

patents stripe