CID 4269500

4,6-dichloro-2-methyl-3-nitropyridine

Structural Information

Molecular Formula

C₆H₄Cl₂N₂O₂

SMILES

CC1=C(C(=CC(=N1)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C6H4Cl2N2O2/c1-3-6(10(11)12)4(7)2-5(8)9-3/h2H,1H3

InChIKey

QLHLRJUPEKKBBN-UHFFFAOYSA-N

Compound name

4,6-dichloro-2-methyl-3-nitropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 205.96498 Da
Monoisotopic Mass: 2.7
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]+	206.97226	134.4
[M+Na]+	228.95420	150.6
[M+NH4]+	223.99880	143.3
[M+K]+	244.92814	145.9
[M-H]-	204.95770	137.4
[M+Na-2H]-	226.93965	141.7
[M]+	205.96443	138.1
[M]-	205.96553	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe