CID 5276662

Chembl365098

Structural Information

Molecular Formula
C12H10F2N2O2
SMILES
CC1=CN(C(=O)NC1=O)CC2=CC(=C(C=C2)F)F
InChI
InChI=1S/C12H10F2N2O2/c1-7-5-16(12(18)15-11(7)17)6-8-2-3-9(13)10(14)4-8/h2-5H,6H2,1H3,(H,15,17,18)
InChIKey
HQGNIIRBTATAQE-UHFFFAOYSA-N
Compound name
1-[(3,4-difluorophenyl)methyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

252.07103 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07831 150.9
[M+Na]+ 275.06025 163.3
[M-H]- 251.06375 152.4
[M+NH4]+ 270.10485 165.4
[M+K]+ 291.03419 157.4
[M+H-H2O]+ 235.06829 141.2
[M+HCOO]- 297.06923 170.4
[M+CH3COO]- 311.08488 192.8
[M+Na-2H]- 273.04570 154.7
[M]+ 252.07048 149.7
[M]- 252.07158 149.7
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.