CID 41117

1,2-dichlorodibenzo-p-dioxin

Structural Information

Molecular Formula
C12H6Cl2O2
SMILES
C1=CC=C2C(=C1)OC3=C(O2)C(=C(C=C3)Cl)Cl
InChI
InChI=1S/C12H6Cl2O2/c13-7-5-6-10-12(11(7)14)16-9-4-2-1-3-8(9)15-10/h1-6H
InChIKey
DFGDMWHUCCHXIF-UHFFFAOYSA-N
Compound name
1,2-dichlorodibenzo-p-dioxin
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

26
Patents

251.97449 Da
Monoisotopic Mass

5.7
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.