CID 56777

1,7-dichlorodibenzofuran

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3
Patents

235.97957 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.98685 143.0
[M+Na]+ 258.96879 161.6
[M+NH4]+ 254.01339 154.7
[M+K]+ 274.94273 153.5
[M-H]- 234.97229 148.8
[M+Na-2H]- 256.95424 151.3
[M]+ 235.97902 148.3
[M]- 235.98012 148.3
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