CID 63479

Brn 0832505

Structural Information

Molecular Formula
C15H7F5N2O
SMILES
C1=CC(=CC=C1N2C(=O)C3=C(C=CC(=C3)F)N=C2C(F)(F)F)F
InChI
InChI=1S/C15H7F5N2O/c16-8-1-4-10(5-2-8)22-13(23)11-7-9(17)3-6-12(11)21-14(22)15(18,19)20/h1-7H
InChIKey
CZKKGLQTDMJFLQ-UHFFFAOYSA-N
Compound name
6-fluoro-3-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.04785 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.05513 170.4
[M+Na]+ 349.03707 183.7
[M-H]- 325.04057 170.1
[M+NH4]+ 344.08167 183.2
[M+K]+ 365.01101 176.2
[M+H-H2O]+ 309.04511 157.1
[M+HCOO]- 371.04605 184.6
[M+CH3COO]- 385.06170 208.6
[M+Na-2H]- 347.02252 174.7
[M]+ 326.04730 166.0
[M]- 326.04840 166.0
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.