CID 10702725

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

Structural Information

Molecular Formula
C7H7ClN2O2
SMILES
CC1=CC(=C(C(=N1)C)[N+](=O)[O-])Cl
InChI
InChI=1S/C7H7ClN2O2/c1-4-3-6(8)7(10(11)12)5(2)9-4/h3H,1-2H3
InChIKey
PSBGFLWVQDGETK-UHFFFAOYSA-N
Compound name
4-chloro-2,6-dimethyl-3-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

214
Patents

186.0196 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.02688 133.8
[M+Na]+ 209.00882 144.2
[M-H]- 185.01232 136.9
[M+NH4]+ 204.05342 153.0
[M+K]+ 224.98276 137.3
[M+H-H2O]+ 169.01686 133.5
[M+HCOO]- 231.01780 154.3
[M+CH3COO]- 245.03345 176.5
[M+Na-2H]- 206.99427 141.5
[M]+ 186.01905 135.5
[M]- 186.02015 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