CID 128467

1-phthalidyl-5-fluorouracil

Structural Information

Molecular Formula
C12H7FN2O4
SMILES
C1=CC=C2C(=C1)C(OC2=O)N3C=C(C(=O)NC3=O)F
InChI
InChI=1S/C12H7FN2O4/c13-8-5-15(12(18)14-9(8)16)10-6-3-1-2-4-7(6)11(17)19-10/h1-5,10H,(H,14,16,18)
InChIKey
JADGCGSQDUSAED-UHFFFAOYSA-N
Compound name
5-fluoro-1-(3-oxo-1H-2-benzofuran-1-yl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

49
Patents

262.03897 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.04625 151.4
[M+Na]+ 285.02819 164.0
[M-H]- 261.03169 156.0
[M+NH4]+ 280.07279 166.6
[M+K]+ 301.00213 160.0
[M+H-H2O]+ 245.03623 143.2
[M+HCOO]- 307.03717 170.8
[M+CH3COO]- 321.05282 164.6
[M+Na-2H]- 283.01364 155.9
[M]+ 262.03842 152.4
[M]- 262.03952 152.4
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