CID 75738

2-chloro-3,5-dinitropyridine

Structural Information

Molecular Formula
C5H2ClN3O4
SMILES
C1=C(C=NC(=C1[N+](=O)[O-])Cl)[N+](=O)[O-]
InChI
InChI=1S/C5H2ClN3O4/c6-5-4(9(12)13)1-3(2-7-5)8(10)11/h1-2H
InChIKey
QLHVJBXAQWPEDI-UHFFFAOYSA-N
Compound name
2-chloro-3,5-dinitropyridine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

736
Patents

202.97339 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.98067 137.1
[M+Na]+ 225.96261 145.1
[M-H]- 201.96611 139.6
[M+NH4]+ 221.00721 153.3
[M+K]+ 241.93655 135.1
[M+H-H2O]+ 185.97065 140.7
[M+HCOO]- 247.97159 158.4
[M+CH3COO]- 261.98724 172.2
[M+Na-2H]- 223.94806 147.0
[M]+ 202.97284 135.9
[M]- 202.97394 135.9
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