CID 54679224

Gimeracil

Structural Information

Molecular Formula

C₅H₄ClNO₂

SMILES

C1=C(C(=CNC1=O)Cl)O

InChI

InChI=1S/C5H4ClNO2/c6-3-2-7-5(9)1-4(3)8/h1-2H,(H2,7,8,9)

InChIKey

ZPLQIPFOCGIIHV-UHFFFAOYSA-N

Compound name

5-chloro-4-hydroxy-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 194
References: 6003
Patents: 144.99306 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]+	146.00034	121.9
[M+Na]+	167.98228	136.0
[M+NH4]+	163.02688	130.1
[M+K]+	183.95622	130.3
[M-H]-	143.98578	122.4
[M+Na-2H]-	165.96773	128.8
[M]+	144.99251	124.2
[M]-	144.99361	124.2

Literature stripe

literature stripe

Patent stripe

patents stripe