CID 3614131

7-bromo-2-chloro-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C8H4BrClN2O
SMILES
C1=CC2=NC(=CC(=O)N2C=C1Br)Cl
InChI
InChI=1S/C8H4BrClN2O/c9-5-1-2-7-11-6(10)3-8(13)12(7)4-5/h1-4H
InChIKey
PLYVBFWARNQVJL-UHFFFAOYSA-N
Compound name
7-bromo-2-chloropyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

257.91956 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.92684 137.7
[M+Na]+ 280.90878 153.7
[M-H]- 256.91228 143.1
[M+NH4]+ 275.95338 158.3
[M+K]+ 296.88272 140.8
[M+H-H2O]+ 240.91682 138.0
[M+HCOO]- 302.91776 153.5
[M+CH3COO]- 316.93341 153.7
[M+Na-2H]- 278.89423 148.3
[M]+ 257.91901 159.4
[M]- 257.92011 159.4
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

patents stripe