CID 11312605

3-bromo-5-iodopyridin-4-ol

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C5H3BrINO/c6-3-1-8-2-4(7)5(3)9/h1-2H,(H,8,9)

InChIKey

JSJXGABOPRMRDP-UHFFFAOYSA-N

Compound name

3-bromo-5-iodo-1H-pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 298.84427 Da
Monoisotopic Mass: 1.7
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]+	299.85155	133.9
[M+Na]+	321.83349	140.5
[M-H]-	297.83699	131.8
[M+NH4]+	316.87809	150.7
[M+K]+	337.80743	135.1
[M+H-H2O]+	281.84153	130.8
[M+HCOO]-	343.84247	150.0
[M+CH3COO]-	357.85812	185.1
[M+Na-2H]-	319.81894	131.6
[M]+	298.84372	147.9
[M]-	298.84482	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe