CID 85239

2,6-dichloro-3-nitropyridine

Structural Information

Molecular Formula

C₅H₂Cl₂N₂O₂

SMILES

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

InChI

InChI=1S/C5H2Cl2N2O2/c6-4-2-1-3(9(10)11)5(7)8-4/h1-2H

InChIKey

SHCWQWRTKPNTEM-UHFFFAOYSA-N

Compound name

2,6-dichloro-3-nitropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2709
Patents: 191.94933 Da
Monoisotopic Mass: 2.6
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]+	192.956606	131.6
[M+Na]+	214.938548	141.7
[M-H]-	190.942054	133.5
[M+NH4]+	209.983153	150.3
[M+K]+	230.912488	134.1
[M+H-H2O]+	174.946590	132.0
[M+HCOO]-	236.947531	147.4
[M+CH3COO]-	250.963181	174.3
[M+Na-2H]-	212.923996	139.8
[M]+	191.94878142	133.0
[M]-	191.94987858	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe