CID 89648

2-chloro-3-methyl-5-nitropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

782
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 128.2
[M+Na]+ 194.99317 143.7
[M+NH4]+ 190.03777 137.2
[M+K]+ 210.96711 139.6
[M-H]- 170.99667 131.4
[M+Na-2H]- 192.97862 135.8
[M]+ 172.00340 131.6
[M]- 172.00450 131.6
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