CID 56776

1,4-dichlorodibenzofuran

Structural Information

Molecular Formula
C12H6Cl2O
SMILES
C1=CC=C2C(=C1)C3=C(C=CC(=C3O2)Cl)Cl
InChI
InChI=1S/C12H6Cl2O/c13-8-5-6-9(14)12-11(8)7-3-1-2-4-10(7)15-12/h1-6H
InChIKey
VHQCMZLPHWGUDB-UHFFFAOYSA-N
Compound name
1,4-dichlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
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

patents stripe