CID 2762847

4-chloro-2-nitropyridine

Structural Information

Molecular Formula

C₅H₃ClN₂O₂

SMILES

C1=CN=C(C=C1Cl)[N+](=O)[O-]

InChI

InChI=1S/C5H3ClN2O2/c6-4-1-2-7-5(3-4)8(9)10/h1-3H

InChIKey

YPKBJRKFGYVURL-UHFFFAOYSA-N

Compound name

4-chloro-2-nitropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 129
Patents: 157.98831 Da
Monoisotopic Mass: 1.3
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]+	158.99559	123.7
[M+Na]+	180.97753	139.0
[M+NH4]+	176.02213	132.8
[M+K]+	196.95147	135.0
[M-H]-	156.98103	126.9
[M+Na-2H]-	178.96298	131.8
[M]+	157.98776	127.0
[M]-	157.98886	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe