CID 129919744

1379260-15-7

Structural Information

Molecular Formula

C₆H₆ClNO₂

SMILES

CN1C=C(C(=CC1=O)O)Cl

InChI

InChI=1S/C6H6ClNO2/c1-8-3-4(7)5(9)2-6(8)10/h2-3,9H,1H3

InChIKey

DKRBWOGSHHARDV-UHFFFAOYSA-N

Compound name

5-chloro-4-hydroxy-1-methylpyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 159.00871 Da
Monoisotopic Mass: 0.1
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]+	160.015986	124.4
[M+Na]+	181.997928	136.5
[M-H]-	158.001434	126.5
[M+NH4]+	177.042533	145.0
[M+K]+	197.971868	132.9
[M+H-H2O]+	142.005970	120.1
[M+HCOO]-	204.006911	143.3
[M+CH3COO]-	218.022561	172.8
[M+Na-2H]-	179.983376	131.3
[M]+	159.00816142	127.1
[M]-	159.00925858	127.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe