CID 10955596

6-(4-fluorophenyl)sulfanyl-1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H7FN2O2S
SMILES
C1=CC(=CC=C1F)SC2=CC(=O)NC(=O)N2
InChI
InChI=1S/C10H7FN2O2S/c11-6-1-3-7(4-2-6)16-9-5-8(14)12-10(15)13-9/h1-5H,(H2,12,13,14,15)
InChIKey
MUZDFBRNAPOBRM-UHFFFAOYSA-N
Compound name
6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.02122 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.028496 145.8
[M+Na]+ 261.010438 156.9
[M-H]- 237.013944 146.9
[M+NH4]+ 256.055043 160.2
[M+K]+ 276.984378 149.9
[M+H-H2O]+ 221.018480 137.7
[M+HCOO]- 283.019421 160.5
[M+CH3COO]- 297.035071 157.6
[M+Na-2H]- 258.995886 149.2
[M]+ 238.02067142 144.5
[M]- 238.02176858 144.5
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.