CID 50248

Triclabendazole

Structural Information

Molecular Formula
C14H9Cl3N2OS
SMILES
CSC1=NC2=CC(=C(C=C2N1)Cl)OC3=C(C(=CC=C3)Cl)Cl
InChI
InChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)
InChIKey
NQPDXQQQCQDHHW-UHFFFAOYSA-N
Compound name
6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfanyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

584
References

6262
Patents

357.9501 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.95738 178.8
[M+Na]+ 380.93932 196.6
[M+NH4]+ 375.98392 188.0
[M+K]+ 396.91326 186.0
[M-H]- 356.94282 182.4
[M+Na-2H]- 378.92477 185.9
[M]+ 357.94955 183.9
[M]- 357.95065 183.9
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