CID 20312

4,6-dichloro-5-nitropyrimidine

Structural Information

Molecular Formula
C4HCl2N3O2
SMILES
C1=NC(=C(C(=N1)Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C4HCl2N3O2/c5-3-2(9(10)11)4(6)8-1-7-3/h1H
InChIKey
HCTISZQLTGAYOX-UHFFFAOYSA-N
Compound name
4,6-dichloro-5-nitropyrimidine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

1208
Patents

192.94458 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.95186 129.1
[M+Na]+ 215.93380 145.0
[M+NH4]+ 210.97840 137.5
[M+K]+ 231.90774 141.0
[M-H]- 191.93730 131.3
[M+Na-2H]- 213.91925 136.7
[M]+ 192.94403 132.4
[M]- 192.94513 132.4
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