CID 12643713

2-chloro-3-methyl-4-nitropyridine

Structural Information

Molecular Formula
C6H5ClN2O2
SMILES
CC1=C(C=CN=C1Cl)[N+](=O)[O-]
InChI
InChI=1S/C6H5ClN2O2/c1-4-5(9(10)11)2-3-8-6(4)7/h2-3H,1H3
InChIKey
OADFBXPNLFABBM-UHFFFAOYSA-N
Compound name
2-chloro-3-methyl-4-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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

No literature data available for this compound.

Patent stripe

patents stripe