CID 5482

Tioconazole

Structural Information

Molecular Formula
C16H13Cl3N2OS
SMILES
C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)OCC3=C(SC=C3)Cl
InChI
InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2
InChIKey
QXHHHPZILQDDPS-UHFFFAOYSA-N
Compound name
1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

171
References

18316
Patents

385.9814 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.98868 186.8
[M+Na]+ 408.97062 202.6
[M+NH4]+ 404.01522 195.5
[M+K]+ 424.94456 194.1
[M-H]- 384.97412 191.2
[M+Na-2H]- 406.95607 194.8
[M]+ 385.98085 191.7
[M]- 385.98195 191.7
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