CID 2762929

3-chloro-4-hydroxypyridine

Structural Information

Molecular Formula

SMILES

C1=CNC=C(C1=O)Cl

InChI

InChI=1S/C5H4ClNO/c6-4-3-7-2-1-5(4)8/h1-3H,(H,7,8)

InChIKey

NKEYLLFRPHHBOQ-UHFFFAOYSA-N

Compound name

3-chloro-1H-pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 128.99814 Da
Monoisotopic Mass: 1.0
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]+	130.00542	117.9
[M+Na]+	151.98736	128.6
[M-H]-	127.99086	119.3
[M+NH4]+	147.03196	139.0
[M+K]+	167.96130	124.6
[M+H-H2O]+	111.99540	113.3
[M+HCOO]-	173.99634	136.8
[M+CH3COO]-	188.01199	165.4
[M+Na-2H]-	149.97281	126.7
[M]+	128.99759	117.9
[M]-	128.99869	117.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe