CID 3385

5-fluorouracil

Structural Information

Molecular Formula
C4H3FN2O2
SMILES
C1=C(C(=O)NC(=O)N1)F
InChI
InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChIKey
GHASVSINZRGABV-UHFFFAOYSA-N
Compound name
5-fluoro-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

54239
References

46905
Patents

130.01785 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.02513 118.2
[M+Na]+ 153.00707 129.4
[M-H]- 129.01057 116.1
[M+NH4]+ 148.05167 136.5
[M+K]+ 168.98101 125.9
[M+H-H2O]+ 113.01511 111.5
[M+HCOO]- 175.01605 138.5
[M+CH3COO]- 189.03170 163.8
[M+Na-2H]- 150.99252 126.0
[M]+ 130.01730 114.7
[M]- 130.01840 114.7
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.