CID 134198736

1-bromo-8-chlorodibenzo[b,d]furan

Structural Information

Molecular Formula

C₁₂H₆BrClO

SMILES

C1=CC2=C(C(=C1)Br)C3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C12H6BrClO/c13-9-2-1-3-11-12(9)8-6-7(14)4-5-10(8)15-11/h1-6H

InChIKey

LMGAQFSQAOXEDZ-UHFFFAOYSA-N

Compound name

1-bromo-8-chlorodibenzofuran

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 279.92905 Da
Monoisotopic Mass: 5.0
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]+	280.93633	152.8
[M+Na]+	302.91827	169.4
[M-H]-	278.92177	162.6
[M+NH4]+	297.96287	176.7
[M+K]+	318.89221	157.2
[M+H-H2O]+	262.92631	154.7
[M+HCOO]-	324.92725	170.6
[M+CH3COO]-	338.94290	169.6
[M+Na-2H]-	300.90372	162.3
[M]+	279.92850	177.0
[M]-	279.92960	177.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe