CID 23456152

2-chloro-3-methoxy-5-nitropyridine

Structural Information

Molecular Formula

C₆H₅ClN₂O₃

SMILES

COC1=C(N=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C6H5ClN2O3/c1-12-5-2-4(9(10)11)3-8-6(5)7/h2-3H,1H3

InChIKey

XXGPBLSIXOYNEM-UHFFFAOYSA-N

Compound name

2-chloro-3-methoxy-5-nitropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 285
Patents: 187.99887 Da
Monoisotopic Mass: 1.6
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]+	189.00615	131.1
[M+Na]+	210.98809	146.1
[M+NH4]+	206.03269	139.5
[M+K]+	226.96203	142.6
[M-H]-	186.99159	133.8
[M+Na-2H]-	208.97354	138.3
[M]+	187.99832	134.2
[M]-	187.99942	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe