CID 11849938

3,4-dichloro-5-nitropyridine

Structural Information

Molecular Formula

C₅H₂Cl₂N₂O₂

SMILES

C1=C(C(=C(C=N1)Cl)Cl)[N+](=O)[O-]

InChI

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

InChIKey

LSVPLFVLCXIYHM-UHFFFAOYSA-N

Compound name

3,4-dichloro-5-nitropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 191.94933 Da
Monoisotopic Mass: 1.9
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]+	192.95661	129.8
[M+Na]+	214.93855	145.8
[M+NH4]+	209.98315	138.9
[M+K]+	230.91249	141.3
[M-H]-	190.94205	132.8
[M+Na-2H]-	212.92400	137.6
[M]+	191.94878	133.5
[M]-	191.94988	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe