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]+ 239.02850 145.8
[M+Na]+ 261.01044 156.9
[M-H]- 237.01394 146.9
[M+NH4]+ 256.05504 160.2
[M+K]+ 276.98438 149.9
[M+H-H2O]+ 221.01848 137.7
[M+HCOO]- 283.01942 160.5
[M+CH3COO]- 297.03507 157.6
[M+Na-2H]- 258.99589 149.2
[M]+ 238.02067 144.5
[M]- 238.02177 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.