CID 592372

85093-36-3

Structural Information

Molecular Formula
C11H8FN3O5
SMILES
C1=CC(=C(C=C1CN2C=C(C(=O)NC2=O)F)[N+](=O)[O-])O
InChI
InChI=1S/C11H8FN3O5/c12-7-5-14(11(18)13-10(7)17)4-6-1-2-9(16)8(3-6)15(19)20/h1-3,5,16H,4H2,(H,13,17,18)
InChIKey
PUPUYXSTDJWALU-UHFFFAOYSA-N
Compound name
5-fluoro-1-[(4-hydroxy-3-nitrophenyl)methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.0448 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.05208 154.6
[M+Na]+ 304.03402 168.2
[M+NH4]+ 299.07862 158.9
[M+K]+ 320.00796 166.5
[M-H]- 280.03752 155.2
[M+Na-2H]- 302.01947 160.1
[M]+ 281.04425 156.2
[M]- 281.04535 156.2
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.