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 154.5
[M+Na]+ 304.03402 164.5
[M-H]- 280.03752 156.2
[M+NH4]+ 299.07862 165.7
[M+K]+ 320.00796 155.5
[M+H-H2O]+ 264.04206 149.9
[M+HCOO]- 326.04300 175.0
[M+CH3COO]- 340.05865 187.9
[M+Na-2H]- 302.01947 161.1
[M]+ 281.04425 152.1
[M]- 281.04535 152.1
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.