CID 63478

4(3h)-quinazolinone, 6-fluoro-3-phenyl-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C15H8F4N2O
SMILES
C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)F)N=C2C(F)(F)F
InChI
InChI=1S/C15H8F4N2O/c16-9-6-7-12-11(8-9)13(22)21(10-4-2-1-3-5-10)14(20-12)15(17,18)19/h1-8H
InChIKey
IWJCLQGGDRCQOU-UHFFFAOYSA-N
Compound name
6-fluoro-3-phenyl-2-(trifluoromethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.05728 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.06456 166.8
[M+Na]+ 331.04650 179.1
[M-H]- 307.05000 167.4
[M+NH4]+ 326.09110 180.1
[M+K]+ 347.02044 172.0
[M+H-H2O]+ 291.05454 154.2
[M+HCOO]- 353.05548 182.1
[M+CH3COO]- 367.07113 204.6
[M+Na-2H]- 329.03195 172.5
[M]+ 308.05673 163.1
[M]- 308.05783 163.1
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.