CID 119141

2-hydroxy-3,7,8-trichlorodd

Structural Information

Molecular Formula

C₁₂H₅Cl₃O₃

SMILES

C1=C(C(=CC2=C1OC3=CC(=C(C=C3O2)Cl)Cl)Cl)O

InChI

InChI=1S/C12H5Cl3O3/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4,16H

InChIKey

PMDIZNYHSROIKW-UHFFFAOYSA-N

Compound name

3,7,8-trichlorodibenzo-p-dioxin-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 301.93042 Da
Monoisotopic Mass: 5.4
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]+	302.93770	156.6
[M+Na]+	324.91964	169.6
[M-H]-	300.92314	161.2
[M+NH4]+	319.96424	172.8
[M+K]+	340.89358	165.6
[M+H-H2O]+	284.92768	153.1
[M+HCOO]-	346.92862	160.6
[M+CH3COO]-	360.94427	169.0
[M+Na-2H]-	322.90509	163.6
[M]+	301.92987	163.1
[M]-	301.93097	163.1

Literature stripe

literature stripe

Patent stripe

patents stripe