CID 4532123

3-bromo-2-methyl-4h-chromen-4-one

Structural Information

Molecular Formula

C₁₀H₇BrO₂

SMILES

CC1=C(C(=O)C2=CC=CC=C2O1)Br

InChI

InChI=1S/C10H7BrO2/c1-6-9(11)10(12)7-4-2-3-5-8(7)13-6/h2-5H,1H3

InChIKey

FDWRTQHFRUGBHY-UHFFFAOYSA-N

Compound name

3-bromo-2-methylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 237.96294 Da
Monoisotopic Mass: 2.8
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]+	238.97022	136.5
[M+Na]+	260.95216	142.9
[M+NH4]+	255.99676	142.5
[M+K]+	276.92610	142.3
[M-H]-	236.95566	139.5
[M+Na-2H]-	258.93761	141.2
[M]+	237.96239	137.3
[M]-	237.96349	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe