CID 493269

2-[(3,4-dichlorobenzyl)sulfanyl]-5-methyl-1h-benzimidazole

Structural Information

Molecular Formula
C15H12Cl2N2S
SMILES
CC1=CC2=C(C=C1)N=C(N2)SCC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H12Cl2N2S/c1-9-2-5-13-14(6-9)19-15(18-13)20-8-10-3-4-11(16)12(17)7-10/h2-7H,8H2,1H3,(H,18,19)
InChIKey
NPDOOBDDEGCFOL-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.00983 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.01711 168.3
[M+Na]+ 344.99905 181.7
[M-H]- 321.00255 172.6
[M+NH4]+ 340.04365 184.9
[M+K]+ 360.97299 172.7
[M+H-H2O]+ 305.00709 162.1
[M+HCOO]- 367.00803 175.5
[M+CH3COO]- 381.02368 180.1
[M+Na-2H]- 342.98450 169.5
[M]+ 322.00928 174.9
[M]- 322.01038 174.9
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

No patent data available for this compound.