CID 133055942

5-bromo-4-iodopyridin-3-ol

Structural Information

Molecular Formula

SMILES

C1=C(C(=C(C=N1)Br)I)O

InChI

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

InChIKey

DVMFEINBWZKRED-UHFFFAOYSA-N

Compound name

5-bromo-4-iodopyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 298.84427 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]+	299.85155	135.5
[M+Na]+	321.83349	141.7
[M-H]-	297.83699	133.3
[M+NH4]+	316.87809	152.3
[M+K]+	337.80743	136.9
[M+H-H2O]+	281.84153	132.3
[M+HCOO]-	343.84247	151.4
[M+CH3COO]-	357.85812	185.8
[M+Na-2H]-	319.81894	133.0
[M]+	298.84372	150.1
[M]-	298.84482	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.