CID 3075800

128887-33-2

Structural Information

Molecular Formula
C11H8FN3O7S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)N2C=C(C(=O)NC2=O)F)[N+](=O)[O-]
InChI
InChI=1S/C11H8FN3O7S/c1-22-9-3-2-6(4-8(9)15(18)19)23(20,21)14-5-7(12)10(16)13-11(14)17/h2-5H,1H3,(H,13,16,17)
InChIKey
MFQHTDDBOOLAMD-UHFFFAOYSA-N
Compound name
5-fluoro-1-(4-methoxy-3-nitrophenyl)sulfonylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.0067 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.01398 166.0
[M+Na]+ 367.99592 178.1
[M+NH4]+ 363.04052 168.9
[M+K]+ 383.96986 176.3
[M-H]- 343.99942 165.1
[M+Na-2H]- 365.98137 170.5
[M]+ 345.00615 167.4
[M]- 345.00725 167.4
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.