CID 34586

2,3-dichlorodibenzo-p-dioxin

Structural Information

Molecular Formula
C12H6Cl2O2
SMILES
C1=CC=C2C(=C1)OC3=CC(=C(C=C3O2)Cl)Cl
InChI
InChI=1S/C12H6Cl2O2/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H
InChIKey
YCIYTXRUZSDMRZ-UHFFFAOYSA-N
Compound name
2,3-dichlorodibenzo-p-dioxin
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

21
Patents

251.97449 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.98177 147.7
[M+Na]+ 274.96371 159.7
[M-H]- 250.96721 154.2
[M+NH4]+ 270.00831 166.0
[M+K]+ 290.93765 156.2
[M+H-H2O]+ 234.97175 142.9
[M+HCOO]- 296.97269 158.3
[M+CH3COO]- 310.98834 161.4
[M+Na-2H]- 272.94916 157.5
[M]+ 251.97394 153.4
[M]- 251.97504 153.4
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