CID 345364

2-chloro-4-methyl-5-nitropyridine

Structural Information

Molecular Formula
C6H5ClN2O2
SMILES
CC1=CC(=NC=C1[N+](=O)[O-])Cl
InChI
InChI=1S/C6H5ClN2O2/c1-4-2-6(7)8-3-5(4)9(10)11/h2-3H,1H3
InChIKey
HWZUMEVIIGNXGM-UHFFFAOYSA-N
Compound name
2-chloro-4-methyl-5-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1306
Patents

172.00395 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.011226 129.5
[M+Na]+ 194.993168 139.3
[M-H]- 170.996674 132.3
[M+NH4]+ 190.037773 148.9
[M+K]+ 210.967108 132.7
[M+H-H2O]+ 155.001210 129.1
[M+HCOO]- 217.002151 150.3
[M+CH3COO]- 231.017801 172.4
[M+Na-2H]- 192.978616 138.3
[M]+ 172.00340142 130.4
[M]- 172.00449858 130.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe