CID 3072548

143328-93-2

Structural Information

Molecular Formula
C12H11FN2O
SMILES
CC1=CC=CC=C1CC2=NC=C(C(=O)N2)F
InChI
InChI=1S/C12H11FN2O/c1-8-4-2-3-5-9(8)6-11-14-7-10(13)12(16)15-11/h2-5,7H,6H2,1H3,(H,14,15,16)
InChIKey
WYJFPOIABCJEDI-UHFFFAOYSA-N
Compound name
5-fluoro-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.08554 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09282 147.8
[M+Na]+ 241.07476 162.7
[M+NH4]+ 236.11936 155.0
[M+K]+ 257.04870 155.2
[M-H]- 217.07826 149.5
[M+Na-2H]- 239.06021 156.3
[M]+ 218.08499 150.3
[M]- 218.08609 150.3
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.