CID 35454

1,2,3,4-tetrachlorodibenzo-p-dioxin

Structural Information

Molecular Formula
C12H4Cl4O2
SMILES
C1=CC=C2C(=C1)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H4Cl4O2/c13-7-8(14)10(16)12-11(9(7)15)17-5-3-1-2-4-6(5)18-12/h1-4H
InChIKey
DJHHDLMTUOLVHY-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrachlorodibenzo-p-dioxin
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3452
References

1139
Patents

319.89655 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.90383 161.5
[M+Na]+ 342.88577 174.1
[M-H]- 318.88927 165.1
[M+NH4]+ 337.93037 177.0
[M+K]+ 358.85971 170.2
[M+H-H2O]+ 302.89381 157.9
[M+HCOO]- 364.89475 160.9
[M+CH3COO]- 378.91040 172.7
[M+Na-2H]- 340.87122 166.8
[M]+ 319.89600 167.1
[M]- 319.89710 167.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe