CID 54762

1,8-dichlorodibenzofuran

Structural Information

Molecular Formula
C12H6Cl2O
SMILES
C1=CC2=C(C(=C1)Cl)C3=C(O2)C=CC(=C3)Cl
InChI
InChI=1S/C12H6Cl2O/c13-7-4-5-10-8(6-7)12-9(14)2-1-3-11(12)15-10/h1-6H
InChIKey
UAFNQQBPUWFPGC-UHFFFAOYSA-N
Compound name
1,8-dichlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

235.97957 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.986846 145.8
[M+Na]+ 258.968788 159.9
[M-H]- 234.972294 152.3
[M+NH4]+ 254.013393 168.2
[M+K]+ 274.942728 154.1
[M+H-H2O]+ 218.976830 141.9
[M+HCOO]- 280.977771 160.7
[M+CH3COO]- 294.993421 160.8
[M+Na-2H]- 256.954236 153.9
[M]+ 235.97902142 153.0
[M]- 235.98011858 153.0
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

No patent data available for this compound.