CID 137949280

91045-72-6

Structural Information

Molecular Formula
C8H4ClN3O3
SMILES
C1=CC2=NC(=CC(=O)N2C=C1[N+](=O)[O-])Cl
InChI
InChI=1S/C8H4ClN3O3/c9-6-3-8(13)11-4-5(12(14)15)1-2-7(11)10-6/h1-4H
InChIKey
SHKXAXBWGIUOMJ-UHFFFAOYSA-N
Compound name
2-chloro-7-nitropyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.99413 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.00141 139.6
[M+Na]+ 247.98335 150.6
[M-H]- 223.98685 142.2
[M+NH4]+ 243.02795 156.4
[M+K]+ 263.95729 142.7
[M+H-H2O]+ 207.99139 137.6
[M+HCOO]- 269.99233 158.5
[M+CH3COO]- 284.00798 181.0
[M+Na-2H]- 245.96880 150.4
[M]+ 224.99358 141.5
[M]- 224.99468 141.5
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

No patent data available for this compound.