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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.