CID 3498945

73220-38-9

Structural Information

Molecular Formula

C₉H₄BrClO₂

SMILES

C1=CC2=C(C=C1Cl)C(=O)C(=CO2)Br

InChI

InChI=1S/C9H4BrClO2/c10-7-4-13-8-2-1-5(11)3-6(8)9(7)12/h1-4H

InChIKey

ZILSBPAUJJBEFF-UHFFFAOYSA-N

Compound name

3-bromo-6-chlorochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 257.90833 Da
Monoisotopic Mass: 3.1
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]+	258.91561	138.6
[M+Na]+	280.89755	145.9
[M+NH4]+	275.94215	144.9
[M+K]+	296.87149	144.6
[M-H]-	256.90105	141.6
[M+Na-2H]-	278.88300	143.5
[M]+	257.90778	139.8
[M]-	257.90888	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe