CID 153863

Dibenzofuran, bromodichloro-

Structural Information

Molecular Formula

C₁₂H₅BrCl₂O

SMILES

C1=CC=C2C(=C1)C3=C(C(=C(C=C3O2)Br)Cl)Cl

InChI

InChI=1S/C12H5BrCl2O/c13-7-5-9-10(12(15)11(7)14)6-3-1-2-4-8(6)16-9/h1-5H

InChIKey

PZNPMASPRORBMT-UHFFFAOYSA-N

Compound name

3-bromo-1,2-dichlorodibenzofuran

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 0
Patents: 313.89008 Da
Monoisotopic Mass: 5.7
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]+	314.89736	158.5
[M+Na]+	336.87930	176.3
[M-H]-	312.88280	167.7
[M+NH4]+	331.92390	181.6
[M+K]+	352.85324	163.0
[M+H-H2O]+	296.88734	160.9
[M+HCOO]-	358.88828	171.3
[M+CH3COO]-	372.90393	174.7
[M+Na-2H]-	334.86475	166.6
[M]+	313.88953	183.8
[M]-	313.89063	183.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.