CID 162182

1-amino-3,7,8-trichlorodibenzo-p-dioxin

Structural Information

Molecular Formula

C₁₂H₆Cl₃NO₂

SMILES

C1=C(C=C2C(=C1N)OC3=CC(=C(C=C3O2)Cl)Cl)Cl

InChI

InChI=1S/C12H6Cl3NO2/c13-5-1-8(16)12-11(2-5)17-9-3-6(14)7(15)4-10(9)18-12/h1-4H,16H2

InChIKey

OZIKZSLAADFRCH-UHFFFAOYSA-N

Compound name

3,7,8-trichlorodibenzo-p-dioxin-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 27
Patents: 300.9464 Da
Monoisotopic Mass: 5.0
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]+	301.95368	160.7
[M+Na]+	323.93562	178.4
[M+NH4]+	318.98022	170.9
[M+K]+	339.90956	169.5
[M-H]-	299.93912	167.3
[M+Na-2H]-	321.92107	166.5
[M]+	300.94585	166.3
[M]-	300.94695	166.3

Literature stripe

literature stripe

Patent stripe

patents stripe