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

3
Annotation Hits: 0
References: 3202
Patents: 338.04337 Da
Monoisotopic Mass: 4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	339.050646	173.0
[M+Na]+	361.032588	185.5
[M-H]-	337.036094	174.5
[M+NH4]+	356.077193	186.1
[M+K]+	377.006528	177.3
[M+H-H2O]+	321.040630	161.5
[M+HCOO]-	383.041571	184.5
[M+CH3COO]-	397.057221	183.6
[M+Na-2H]-	359.018036	178.5
[M]+	338.04282142	173.2
[M]-	338.04391858	173.2

Literature stripe

literature stripe

Patent stripe

patents stripe