CID 99252

3,5-dibromo-4-hydroxypyridine

Structural Information

Molecular Formula

C₅H₃Br₂NO

SMILES

C1=C(C(=O)C(=CN1)Br)Br

InChI

InChI=1S/C5H3Br2NO/c6-3-1-8-2-4(7)5(3)9/h1-2H,(H,8,9)

InChIKey

MXBBVOSRBZCCOD-UHFFFAOYSA-N

Compound name

3,5-dibromo-1H-pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 100
Patents: 250.85814 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]+	251.86542	124.1
[M+Na]+	273.84736	136.5
[M-H]-	249.85086	129.5
[M+NH4]+	268.89196	143.6
[M+K]+	289.82130	120.9
[M+H-H2O]+	233.85540	132.8
[M+HCOO]-	295.85634	140.1
[M+CH3COO]-	309.87199	193.5
[M+Na-2H]-	271.83281	133.4
[M]+	250.85759	157.1
[M]-	250.85869	157.1

Literature stripe

literature stripe

Patent stripe

patents stripe