CID 9807973

32046-43-8

Structural Information

Molecular Formula

SMILES

C1=CC(=NC=C1I)C(=O)O

InChI

InChI=1S/C6H4INO2/c7-4-1-2-5(6(9)10)8-3-4/h1-3H,(H,9,10)

InChIKey

VHBWDGNMKCLMCB-UHFFFAOYSA-N

Compound name

5-iodopyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 30
Patents: 248.92868 Da
Monoisotopic Mass: 1.4
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]+	249.93596	133.9
[M+Na]+	271.91790	135.6
[M-H]-	247.92140	128.4
[M+NH4]+	266.96250	148.5
[M+K]+	287.89184	139.9
[M+H-H2O]+	231.92594	124.4
[M+HCOO]-	293.92688	150.9
[M+CH3COO]-	307.94253	179.4
[M+Na-2H]-	269.90335	128.7
[M]+	248.92813	130.8
[M]-	248.92923	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe