CID 51120

1,9-dichlorodibenzofuran

Structural Information

Molecular Formula
C12H6Cl2O
SMILES
C1=CC2=C(C(=C1)Cl)C3=C(O2)C=CC=C3Cl
InChI
InChI=1S/C12H6Cl2O/c13-7-3-1-5-9-11(7)12-8(14)4-2-6-10(12)15-9/h1-6H
InChIKey
AEKSGHBVWJHELW-UHFFFAOYSA-N
Compound name
1,9-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]+ 236.98685 145.8
[M+Na]+ 258.96879 159.9
[M-H]- 234.97229 152.3
[M+NH4]+ 254.01339 168.2
[M+K]+ 274.94273 154.1
[M+H-H2O]+ 218.97683 141.9
[M+HCOO]- 280.97777 160.7
[M+CH3COO]- 294.99342 160.8
[M+Na-2H]- 256.95424 153.9
[M]+ 235.97902 153.0
[M]- 235.98012 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.