CID 42609067

4-chloro-2-hydroxy-5-nitropyridine

Structural Information

Molecular Formula

C₅H₃ClN₂O₃

SMILES

C1=C(C(=CNC1=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C5H3ClN2O3/c6-3-1-5(9)7-2-4(3)8(10)11/h1-2H,(H,7,9)

InChIKey

VZBXTOUZMQUTIQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 166
Patents: 173.98322 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]+	174.99050	127.0
[M+Na]+	196.97244	137.0
[M-H]-	172.97594	128.7
[M+NH4]+	192.01704	145.5
[M+K]+	212.94638	129.5
[M+H-H2O]+	156.98048	127.0
[M+HCOO]-	218.98142	147.1
[M+CH3COO]-	232.99707	167.5
[M+Na-2H]-	194.95789	136.0
[M]+	173.98267	126.4
[M]-	173.98377	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe