CID 10684568

208519-37-3

Structural Information

Molecular Formula

C₆H₅ClINO₂

SMILES

C1=C(N=C(C(=C1I)O)Cl)CO

InChI

InChI=1S/C6H5ClINO2/c7-6-5(11)4(8)1-3(2-10)9-6/h1,10-11H,2H2

InChIKey

QZHXIGDVIINLKX-UHFFFAOYSA-N

Compound name

2-chloro-6-(hydroxymethyl)-4-iodopyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 128
Patents: 284.90536 Da
Monoisotopic Mass: 1.3
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]+	285.91264	138.7
[M+Na]+	307.89458	142.4
[M-H]-	283.89808	132.3
[M+NH4]+	302.93918	152.8
[M+K]+	323.86852	144.2
[M+H-H2O]+	267.90262	130.6
[M+HCOO]-	329.90356	150.8
[M+CH3COO]-	343.91921	182.8
[M+Na-2H]-	305.88003	132.6
[M]+	284.90481	137.6
[M]-	284.90591	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe