CID 86417

Fluquinconazole

Structural Information

Molecular Formula

C₁₆H₈Cl₂FN₅O

SMILES

C1=CC2=C(C=C1F)C(=O)N(C(=N2)N3C=NC=N3)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H

InChIKey

IJJVMEJXYNJXOJ-UHFFFAOYSA-N

Compound name

3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 26
References: 58643
Patents: 375.009 Da
Monoisotopic Mass: 4.0
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]+	376.016276	181.1
[M+Na]+	397.998218	196.5
[M-H]-	374.001724	184.5
[M+NH4]+	393.042823	190.6
[M+K]+	413.972158	187.0
[M+H-H2O]+	358.006260	168.2
[M+HCOO]-	420.007201	189.9
[M+CH3COO]-	434.022851	191.4
[M+Na-2H]-	395.983666	184.4
[M]+	375.00845142	186.6
[M]-	375.00954858	186.6

Literature stripe

literature stripe

Patent stripe

patents stripe