CID 24212907

882046-89-1

Structural Information

Molecular Formula
C12H9ClN2O3
SMILES
CC(=O)C1=CN(C(=O)NC1=O)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C12H9ClN2O3/c1-7(16)10-6-15(12(18)14-11(10)17)9-4-2-3-8(13)5-9/h2-6H,1H3,(H,14,17,18)
InChIKey
JHHGBMTVCJILKW-UHFFFAOYSA-N
Compound name
5-acetyl-1-(3-chlorophenyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.03018 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.03746 151.7
[M+Na]+ 287.01940 163.6
[M-H]- 263.02290 155.6
[M+NH4]+ 282.06400 166.1
[M+K]+ 302.99334 157.6
[M+H-H2O]+ 247.02744 144.4
[M+HCOO]- 309.02838 168.1
[M+CH3COO]- 323.04403 192.1
[M+Na-2H]- 285.00485 156.0
[M]+ 264.02963 154.5
[M]- 264.03073 154.5
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.