CID 15543903

4-hydroxy-2',3,5-trichlorobiphenyl

Structural Information

Molecular Formula

C₁₂H₇Cl₃O

SMILES

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

InChI

InChI=1S/C12H7Cl3O/c13-9-4-2-1-3-8(9)7-5-10(14)12(16)11(15)6-7/h1-6,16H

InChIKey

XLRWQPVYQISORN-UHFFFAOYSA-N

Compound name

2,6-dichloro-4-(2-chlorophenyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 271.95624 Da
Monoisotopic Mass: 5.3
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]+	272.963516	151.2
[M+Na]+	294.945458	162.9
[M-H]-	270.948964	155.4
[M+NH4]+	289.990063	168.7
[M+K]+	310.919398	155.5
[M+H-H2O]+	254.953500	147.3
[M+HCOO]-	316.954441	159.7
[M+CH3COO]-	330.970091	163.6
[M+Na-2H]-	292.930906	154.7
[M]+	271.95569142	154.3
[M]-	271.95678858	154.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.