CID 21766017

2-chloro-4-nitropyridin-3-ol

Structural Information

Molecular Formula

C₅H₃ClN₂O₃

SMILES

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

InChI

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

InChIKey

UWEVMHYTZHHEJG-UHFFFAOYSA-N

Compound name

2-chloro-4-nitropyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 173.98322 Da
Monoisotopic Mass: 1.8
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	126.8
[M+Na]+	196.97244	141.5
[M+NH4]+	192.01704	135.0
[M+K]+	212.94638	138.5
[M-H]-	172.97594	129.0
[M+Na-2H]-	194.95789	133.6
[M]+	173.98267	129.6
[M]-	173.98377	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe