CID 11286939

4-bromo-6-methyl-2h-pyran-2-one

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC(=O)O1)Br

InChI

InChI=1S/C6H5BrO2/c1-4-2-5(7)3-6(8)9-4/h2-3H,1H3

InChIKey

LLFSFJYWGVKYRP-UHFFFAOYSA-N

Compound name

4-bromo-6-methylpyran-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 37
Patents: 187.9473 Da
Monoisotopic Mass: 1.6
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]+	188.95458	125.3
[M+Na]+	210.93652	130.4
[M+NH4]+	205.98112	130.7
[M+K]+	226.91046	130.8
[M-H]-	186.94002	127.2
[M+Na-2H]-	208.92197	129.7
[M]+	187.94675	125.5
[M]-	187.94785	125.5

Literature stripe

literature stripe

Patent stripe

patents stripe