CID 190483

8-hydroxy-2,3,4-trichlorodibenzofuran

Structural Information

Molecular Formula

C₁₂H₅Cl₃O₂

SMILES

C1=CC2=C(C=C1O)C3=CC(=C(C(=C3O2)Cl)Cl)Cl

InChI

InChI=1S/C12H5Cl3O2/c13-8-4-7-6-3-5(16)1-2-9(6)17-12(7)11(15)10(8)14/h1-4,16H

InChIKey

WRNMERBQJJGYCV-UHFFFAOYSA-N

Compound name

6,7,8-trichlorodibenzofuran-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 285.93552 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]+	286.942796	155.6
[M+Na]+	308.924738	170.6
[M-H]-	284.928244	160.1
[M+NH4]+	303.969343	175.6
[M+K]+	324.898678	164.1
[M+H-H2O]+	268.932780	152.9
[M+HCOO]-	330.933721	163.6
[M+CH3COO]-	344.949371	169.1
[M+Na-2H]-	306.910186	160.8
[M]+	285.93497142	163.3
[M]-	285.93606858	163.3

Literature stripe

literature stripe

Patent stripe

patents stripe