CID 12744506

6-chloro-2,4-dimethyl-3-nitropyridine

Structural Information

Molecular Formula

C₇H₇ClN₂O₂

SMILES

CC1=CC(=NC(=C1[N+](=O)[O-])C)Cl

InChI

InChI=1S/C7H7ClN2O2/c1-4-3-6(8)9-5(2)7(4)10(11)12/h3H,1-2H3

InChIKey

MZJLDJKORNDTNV-UHFFFAOYSA-N

Compound name

6-chloro-2,4-dimethyl-3-nitropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 186.0196 Da
Monoisotopic Mass: 2.4
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]+	187.02688	132.8
[M+Na]+	209.00882	148.5
[M+NH4]+	204.05342	141.6
[M+K]+	224.98276	144.3
[M-H]-	185.01232	136.1
[M+Na-2H]-	206.99427	139.9
[M]+	186.01905	136.2
[M]-	186.02015	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe