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 145.7
[M+Na]+ 241.07476 156.0
[M-H]- 217.07826 147.8
[M+NH4]+ 236.11936 161.1
[M+K]+ 257.04870 150.6
[M+H-H2O]+ 201.08280 136.7
[M+HCOO]- 263.08374 165.9
[M+CH3COO]- 277.09939 186.2
[M+Na-2H]- 239.06021 151.7
[M]+ 218.08499 144.0
[M]- 218.08609 144.0
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.