CID 3021388

Brn 4463312

Structural Information

Molecular Formula
C16H11FN2O
SMILES
C1=CC=C(C=C1)C2=NC=CC(=O)N2C3=CC=CC=C3F
InChI
InChI=1S/C16H11FN2O/c17-13-8-4-5-9-14(13)19-15(20)10-11-18-16(19)12-6-2-1-3-7-12/h1-11H
InChIKey
FMPNYHFDJWREKH-UHFFFAOYSA-N
Compound name
3-(2-fluorophenyl)-2-phenylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.08554 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09282 158.8
[M+Na]+ 289.07476 169.0
[M-H]- 265.07826 165.0
[M+NH4]+ 284.11936 172.2
[M+K]+ 305.04870 162.7
[M+H-H2O]+ 249.08280 147.6
[M+HCOO]- 311.08374 180.2
[M+CH3COO]- 325.09939 170.8
[M+Na-2H]- 287.06021 165.4
[M]+ 266.08499 157.5
[M]- 266.08609 157.5
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.