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 167.1
[M+Na]+ 367.99592 176.8
[M-H]- 343.99942 170.2
[M+NH4]+ 363.04052 176.3
[M+K]+ 383.96986 168.0
[M+H-H2O]+ 328.00396 162.5
[M+HCOO]- 390.00490 182.8
[M+CH3COO]- 404.02055 197.2
[M+Na-2H]- 365.98137 173.6
[M]+ 345.00615 168.5
[M]- 345.00725 168.5
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.