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
4
Annotation Hits

5
References

1254
Patents

192.94458 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.951856 130.3
[M+Na]+ 215.933798 140.6
[M-H]- 191.937304 130.9
[M+NH4]+ 210.978403 147.6
[M+K]+ 231.907738 133.3
[M+H-H2O]+ 175.941840 129.7
[M+HCOO]- 237.942781 145.0
[M+CH3COO]- 251.958431 174.0
[M+Na-2H]- 213.919246 139.4
[M]+ 192.94403142 131.5
[M]- 192.94512858 131.5
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