CID 20379578

2(1h)-pyridinone, 3,5-dibromo-6-fluoro-

Structural Information

Molecular Formula

C₅H₂Br₂FNO

SMILES

C1=C(C(=O)NC(=C1Br)F)Br

InChI

InChI=1S/C5H2Br2FNO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)

InChIKey

LECXQABXPOUGRQ-UHFFFAOYSA-N

Compound name

3,5-dibromo-6-fluoro-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 268.84872 Da
Monoisotopic Mass: 1.8
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]+	269.85600	127.9
[M+Na]+	291.83794	140.9
[M-H]-	267.84144	132.4
[M+NH4]+	286.88254	146.9
[M+K]+	307.81188	124.8
[M+H-H2O]+	251.84598	135.8
[M+HCOO]-	313.84692	143.0
[M+CH3COO]-	327.86257	196.4
[M+Na-2H]-	289.82339	135.9
[M]+	268.84817	160.2
[M]-	268.84927	160.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe