CID 85239

2,6-dichloro-3-nitropyridine

Structural Information

Molecular Formula
C5H2Cl2N2O2
SMILES
C1=CC(=NC(=C1[N+](=O)[O-])Cl)Cl
InChI
InChI=1S/C5H2Cl2N2O2/c6-4-2-1-3(9(10)11)5(7)8-4/h1-2H
InChIKey
SHCWQWRTKPNTEM-UHFFFAOYSA-N
Compound name
2,6-dichloro-3-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2767
Patents

191.94933 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.95661 131.6
[M+Na]+ 214.93855 141.7
[M-H]- 190.94205 133.5
[M+NH4]+ 209.98315 150.3
[M+K]+ 230.91249 134.1
[M+H-H2O]+ 174.94659 132.0
[M+HCOO]- 236.94753 147.4
[M+CH3COO]- 250.96318 174.3
[M+Na-2H]- 212.92400 139.8
[M]+ 191.94878 133.0
[M]- 191.94988 133.0
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