CID 219069

Fluquazone

Structural Information

Molecular Formula
C16H10ClF3N2O
SMILES
C1=CC=C(C=C1)C2=NC(=O)N(C3=C2C=C(C=C3)Cl)CC(F)(F)F
InChI
InChI=1S/C16H10ClF3N2O/c17-11-6-7-13-12(8-11)14(10-4-2-1-3-5-10)21-15(23)22(13)9-16(18,19)20/h1-8H,9H2
InChIKey
OAIZNWQBWDHNIH-UHFFFAOYSA-N
Compound name
6-chloro-4-phenyl-1-(2,2,2-trifluoroethyl)quinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3180
Patents

338.04337 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.05065 173.0
[M+Na]+ 361.03259 185.5
[M-H]- 337.03609 174.5
[M+NH4]+ 356.07719 186.1
[M+K]+ 377.00653 177.3
[M+H-H2O]+ 321.04063 161.5
[M+HCOO]- 383.04157 184.5
[M+CH3COO]- 397.05722 183.6
[M+Na-2H]- 359.01804 178.5
[M]+ 338.04282 173.2
[M]- 338.04392 173.2
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.