CID 298607

2-chloro-6-methyl-4-nitropyridine

Structural Information

Molecular Formula
C6H5ClN2O2
SMILES
CC1=CC(=CC(=N1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C6H5ClN2O2/c1-4-2-5(9(10)11)3-6(7)8-4/h2-3H,1H3
InChIKey
BASZDKHKTXGGEP-UHFFFAOYSA-N
Compound name
2-chloro-6-methyl-4-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

172.00395 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.01123 129.5
[M+Na]+ 194.99317 139.3
[M-H]- 170.99667 132.3
[M+NH4]+ 190.03777 148.9
[M+K]+ 210.96711 132.7
[M+H-H2O]+ 155.00121 129.1
[M+HCOO]- 217.00215 150.3
[M+CH3COO]- 231.01780 172.4
[M+Na-2H]- 192.97862 138.3
[M]+ 172.00340 130.4
[M]- 172.00450 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

No literature data available for this compound.

Patent stripe

patents stripe