CID 146026348

Fluorouracil mononitrate

Structural Information

Molecular Formula
C4H2FN3O5
SMILES
C1=CN(C(=O)N(C1=O)O[N+](=O)[O-])F
InChI
InChI=1S/C4H2FN3O5/c5-6-2-1-3(9)7(4(6)10)13-8(11)12/h1-2H
InChIKey
ZMDVLTFEMUUPLE-UHFFFAOYSA-N
Compound name
(3-fluoro-2,6-dioxopyrimidin-1-yl) nitrate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

46906
References

0
Patents

190.99785 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.00513 126.4
[M+Na]+ 213.98707 137.7
[M-H]- 189.99057 127.7
[M+NH4]+ 209.03167 142.8
[M+K]+ 229.96101 132.7
[M+H-H2O]+ 173.99511 123.3
[M+HCOO]- 235.99605 151.1
[M+CH3COO]- 250.01170 173.5
[M+Na-2H]- 211.97252 136.4
[M]+ 190.99730 127.0
[M]- 190.99840 127.0
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

No patent data available for this compound.