CID 13166059

21615-11-2

Structural Information

Molecular Formula
C4H4FN3O2
SMILES
C1(=C(NC(=O)NC1=O)N)F
InChI
InChI=1S/C4H4FN3O2/c5-1-2(6)7-4(10)8-3(1)9/h(H4,6,7,8,9,10)
InChIKey
WTSJNKDJPYBJFH-UHFFFAOYSA-N
Compound name
6-amino-5-fluoro-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

19
Patents

145.02875 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.03603 123.3
[M+Na]+ 168.01797 134.5
[M-H]- 144.02147 121.1
[M+NH4]+ 163.06257 140.6
[M+K]+ 183.99191 130.5
[M+H-H2O]+ 128.02601 116.4
[M+HCOO]- 190.02695 143.9
[M+CH3COO]- 204.04260 169.5
[M+Na-2H]- 166.00342 129.5
[M]+ 145.02820 118.4
[M]- 145.02930 118.4
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

No patent data available for this compound.