CID 10340439

Triclabendazole sulfone

Structural Information

Molecular Formula
C14H9Cl3N2O3S
SMILES
CS(=O)(=O)C1=NC2=CC(=C(C=C2N1)Cl)OC3=C(C(=CC=C3)Cl)Cl
InChI
InChI=1S/C14H9Cl3N2O3S/c1-23(20,21)14-18-9-5-8(16)12(6-10(9)19-14)22-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)
InChIKey
ZEIHWBIRYIXBSV-UHFFFAOYSA-N
Compound name
6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfonyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

389.93994 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.94722 180.8
[M+Na]+ 412.92916 194.8
[M-H]- 388.93266 185.1
[M+NH4]+ 407.97376 194.6
[M+K]+ 428.90310 187.4
[M+H-H2O]+ 372.93720 175.7
[M+HCOO]- 434.93814 182.3
[M+CH3COO]- 448.95379 191.5
[M+Na-2H]- 410.91461 182.1
[M]+ 389.93939 189.6
[M]- 389.94049 189.6
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

patents stripe