CID 614309

6-bromo-3-formylchromone

Structural Information

Molecular Formula

C₁₀H₅BrO₃

SMILES

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

InChI

InChI=1S/C10H5BrO3/c11-7-1-2-9-8(3-7)10(13)6(4-12)5-14-9/h1-5H

InChIKey

PCEZXSJBHMOQFT-UHFFFAOYSA-N

Compound name

6-bromo-4-oxochromene-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 112
Patents: 251.94221 Da
Monoisotopic Mass: 1.9
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]+	252.94949	138.8
[M+Na]+	274.93143	144.8
[M+NH4]+	269.97603	144.1
[M+K]+	290.90537	144.5
[M-H]-	250.93493	141.1
[M+Na-2H]-	272.91688	143.0
[M]+	251.94166	139.3
[M]-	251.94276	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe