CID 70701126

5-bromo-3-methoxypyridin-2(1h)-one

Structural Information

Molecular Formula

C₆H₆BrNO₂

SMILES

COC1=CC(=CNC1=O)Br

InChI

InChI=1S/C6H6BrNO2/c1-10-5-2-4(7)3-8-6(5)9/h2-3H,1H3,(H,8,9)

InChIKey

PTFYUJWNSXKSFV-UHFFFAOYSA-N

Compound name

5-bromo-3-methoxy-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 202.95819 Da
Monoisotopic Mass: 0.8
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]+	203.96547	128.6
[M+Na]+	225.94741	141.9
[M-H]-	201.95091	133.1
[M+NH4]+	220.99201	149.8
[M+K]+	241.92135	131.1
[M+H-H2O]+	185.95545	129.0
[M+HCOO]-	247.95639	149.6
[M+CH3COO]-	261.97204	178.6
[M+Na-2H]-	223.93286	137.7
[M]+	202.95764	147.6
[M]-	202.95874	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe