CID 32437

1,3-dichlorodibenzofuran

Structural Information

Molecular Formula
C12H6Cl2O
SMILES
C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3Cl)Cl
InChI
InChI=1S/C12H6Cl2O/c13-7-5-9(14)12-8-3-1-2-4-10(8)15-11(12)6-7/h1-6H
InChIKey
VKIBKEFGJSPRJC-UHFFFAOYSA-N
Compound name
1,3-dichlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

11
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

patents stripe