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]+ 146.036026 123.3
[M+Na]+ 168.017968 134.5
[M-H]- 144.021474 121.1
[M+NH4]+ 163.062573 140.6
[M+K]+ 183.991908 130.5
[M+H-H2O]+ 128.026010 116.4
[M+HCOO]- 190.026951 143.9
[M+CH3COO]- 204.042601 169.5
[M+Na-2H]- 166.003416 129.5
[M]+ 145.02820142 118.4
[M]- 145.02929858 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

literature stripe

Patent stripe

patents stripe