CID 526356

3,7-dibromodibenzo[b,d]furan

Structural Information

Molecular Formula

C₁₂H₆Br₂O

SMILES

C1=CC2=C(C=C1Br)OC3=C2C=CC(=C3)Br

InChI

InChI=1S/C12H6Br2O/c13-7-1-3-9-10-4-2-8(14)6-12(10)15-11(9)5-7/h1-6H

InChIKey

GBCYJXFJGQKMPY-UHFFFAOYSA-N

Compound name

3,7-dibromodibenzofuran

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 397
Patents: 323.87854 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]+	324.885816	151.4
[M+Na]+	346.867758	164.8
[M-H]-	322.871264	161.0
[M+NH4]+	341.912363	172.3
[M+K]+	362.841698	151.2
[M+H-H2O]+	306.875800	160.8
[M+HCOO]-	368.876741	168.2
[M+CH3COO]-	382.892391	166.7
[M+Na-2H]-	344.853206	160.3
[M]+	323.87799142	188.3
[M]-	323.87908858	188.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe