CID 99933

4(3h)-pyrimidinone, 3-(2-fluorophenyl)-2-(methylthio)-

Structural Information

Molecular Formula
C11H9FN2OS
SMILES
CSC1=NC=CC(=O)N1C2=CC=CC=C2F
InChI
InChI=1S/C11H9FN2OS/c1-16-11-13-7-6-10(15)14(11)9-5-3-2-4-8(9)12/h2-7H,1H3
InChIKey
PCRAYWOXYGXYNF-UHFFFAOYSA-N
Compound name
3-(2-fluorophenyl)-2-methylsulfanylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.04196 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.04924 146.4
[M+Na]+ 259.03118 157.9
[M-H]- 235.03468 150.2
[M+NH4]+ 254.07578 162.5
[M+K]+ 275.00512 152.7
[M+H-H2O]+ 219.03922 137.6
[M+HCOO]- 281.04016 163.4
[M+CH3COO]- 295.05581 159.4
[M+Na-2H]- 257.01663 150.1
[M]+ 236.04141 148.5
[M]- 236.04251 148.5
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.