CID 93483

Imibenconazole

Structural Information

Molecular Formula
C17H13Cl3N4S
SMILES
C1=CC(=CC=C1CSC(=NC2=C(C=C(C=C2)Cl)Cl)CN3C=NC=N3)Cl
InChI
InChI=1S/C17H13Cl3N4S/c18-13-3-1-12(2-4-13)9-25-17(8-24-11-21-10-22-24)23-16-6-5-14(19)7-15(16)20/h1-7,10-11H,8-9H2
InChIKey
AGKSTYPVMZODRV-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)methyl N-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanimidothioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

28042
Patents

409.99265 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.99993 193.4
[M+Na]+ 432.98187 209.8
[M+NH4]+ 428.02647 201.6
[M+K]+ 448.95581 198.9
[M-H]- 408.98537 198.6
[M+Na-2H]- 430.96732 202.4
[M]+ 409.99210 198.6
[M]- 409.99320 198.6
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