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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.026876 133.8
[M+Na]+ 209.008818 144.2
[M-H]- 185.012324 136.9
[M+NH4]+ 204.053423 153.0
[M+K]+ 224.982758 137.3
[M+H-H2O]+ 169.016860 133.5
[M+HCOO]- 231.017801 154.3
[M+CH3COO]- 245.033451 176.5
[M+Na-2H]- 206.994266 141.5
[M]+ 186.01905142 135.5
[M]- 186.02014858 135.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe