CID 45789641

2-chloro-5-nitropyridin-4-ol

Structural Information

Molecular Formula

C₅H₃ClN₂O₃

SMILES

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

InChI

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

InChIKey

ISUVKOGCKDBJMD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 173.98322 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]+	174.99050	126.4
[M+Na]+	196.97244	141.1
[M+NH4]+	192.01704	134.3
[M+K]+	212.94638	138.0
[M-H]-	172.97594	128.4
[M+Na-2H]-	194.95789	133.1
[M]+	173.98267	129.1
[M]-	173.98377	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe