CID 12535316

6042-35-9

Structural Information

Molecular Formula

SMILES

C1=CC(=C(N=C1)I)C(=O)O

InChI

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

InChIKey

KEYRTRGLKSAGJN-UHFFFAOYSA-N

Compound name

2-iodopyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 248.92868 Da
Monoisotopic Mass: 1.1
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]+	249.935956	133.9
[M+Na]+	271.917898	135.6
[M-H]-	247.921404	128.4
[M+NH4]+	266.962503	148.5
[M+K]+	287.891838	139.9
[M+H-H2O]+	231.925940	124.4
[M+HCOO]-	293.926881	150.9
[M+CH3COO]-	307.942531	179.4
[M+Na-2H]-	269.903346	128.7
[M]+	248.92813142	130.8
[M]-	248.92922858	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe