CID 667703

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

Structural Information

Molecular Formula
C14H10Cl2N2S
SMILES
C1=CC=C2C(=C1)NC(=N2)SCC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C14H10Cl2N2S/c15-10-6-5-9(7-11(10)16)8-19-14-17-12-3-1-2-4-13(12)18-14/h1-7H,8H2,(H,17,18)
InChIKey
VVYDXXBTEWTQJF-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methylsulfanyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

307.99417 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.00145 163.4
[M+Na]+ 330.98339 176.4
[M-H]- 306.98689 167.6
[M+NH4]+ 326.02799 180.4
[M+K]+ 346.95733 167.7
[M+H-H2O]+ 290.99143 157.2
[M+HCOO]- 352.99237 171.1
[M+CH3COO]- 367.00802 175.3
[M+Na-2H]- 328.96884 165.9
[M]+ 307.99362 169.3
[M]- 307.99472 169.3
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