CID 2274725

1-(2-fluorophenyl)-2,4,6(1h,3h,5h)-pyrimidinetrione

Structural Information

Molecular Formula
C10H7FN2O3
SMILES
C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2F
InChI
InChI=1S/C10H7FN2O3/c11-6-3-1-2-4-7(6)13-9(15)5-8(14)12-10(13)16/h1-4H,5H2,(H,12,14,16)
InChIKey
CSLXXFKFHKAWIC-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

222.04407 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05135 144.7
[M+Na]+ 245.03329 154.0
[M-H]- 221.03679 146.4
[M+NH4]+ 240.07789 159.6
[M+K]+ 261.00723 149.8
[M+H-H2O]+ 205.04133 136.0
[M+HCOO]- 267.04227 162.0
[M+CH3COO]- 281.05792 185.0
[M+Na-2H]- 243.01874 148.0
[M]+ 222.04352 139.9
[M]- 222.04462 139.9
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

No patent data available for this compound.