CID 64064

4(3h)-quinazolinone, 2-(fluoromethyl)-3-phenyl-

Structural Information

Molecular Formula
C15H11FN2O
SMILES
C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CF
InChI
InChI=1S/C15H11FN2O/c16-10-14-17-13-9-5-4-8-12(13)15(19)18(14)11-6-2-1-3-7-11/h1-9H,10H2
InChIKey
IZXPDYZJYDOFLO-UHFFFAOYSA-N
Compound name
2-(fluoromethyl)-3-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.08554 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.092816 155.3
[M+Na]+ 277.074758 166.0
[M-H]- 253.078264 159.3
[M+NH4]+ 272.119363 170.6
[M+K]+ 293.048698 160.0
[M+H-H2O]+ 237.082800 145.0
[M+HCOO]- 299.083741 175.6
[M+CH3COO]- 313.099391 167.5
[M+Na-2H]- 275.060206 163.1
[M]+ 254.08499142 155.1
[M]- 254.08608858 155.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.