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

58199
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.