CID 26597142

6-bromo-3-iodochromone

Structural Information

Molecular Formula

C₉H₄BrIO₂

SMILES

C1=CC2=C(C=C1Br)C(=O)C(=CO2)I

InChI

InChI=1S/C9H4BrIO2/c10-5-1-2-8-6(3-5)9(12)7(11)4-13-8/h1-4H

InChIKey

JAKJUHSVDDDAAC-UHFFFAOYSA-N

Compound name

6-bromo-3-iodochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 349.84393 Da
Monoisotopic Mass: 2.9
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]+	350.85121	146.6
[M+Na]+	372.83315	153.8
[M-H]-	348.83665	148.2
[M+NH4]+	367.87775	163.2
[M+K]+	388.80709	149.9
[M+H-H2O]+	332.84119	143.4
[M+HCOO]-	394.84213	163.1
[M+CH3COO]-	408.85778	196.3
[M+Na-2H]-	370.81860	145.6
[M]+	349.84338	164.0
[M]-	349.84448	164.0

Literature stripe

literature stripe

Patent stripe

patents stripe