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
5
Annotation Hits

26
References

81320
Patents

375.009 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.01628 181.1
[M+Na]+ 397.99822 196.5
[M-H]- 374.00172 184.5
[M+NH4]+ 393.04282 190.6
[M+K]+ 413.97216 187.0
[M+H-H2O]+ 358.00626 168.2
[M+HCOO]- 420.00720 189.9
[M+CH3COO]- 434.02285 191.4
[M+Na-2H]- 395.98367 184.4
[M]+ 375.00845 186.6
[M]- 375.00955 186.6
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

patents stripe