CID 469144

2,5,6-trichloro-1-(3-methylbenzyl)-1h-benzimidazole

Structural Information

Molecular Formula
C15H11Cl3N2
SMILES
CC1=CC(=CC=C1)CN2C3=CC(=C(C=C3N=C2Cl)Cl)Cl
InChI
InChI=1S/C15H11Cl3N2/c1-9-3-2-4-10(5-9)8-20-14-7-12(17)11(16)6-13(14)19-15(20)18/h2-7H,8H2,1H3
InChIKey
VZKKIOBIDORTTC-UHFFFAOYSA-N
Compound name
2,5,6-trichloro-1-[(3-methylphenyl)methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.99878 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.00606 170.2
[M+Na]+ 346.98800 184.0
[M-H]- 322.99150 173.8
[M+NH4]+ 342.03260 186.5
[M+K]+ 362.96194 175.5
[M+H-H2O]+ 306.99604 162.6
[M+HCOO]- 368.99698 177.6
[M+CH3COO]- 383.01263 181.7
[M+Na-2H]- 344.97345 172.3
[M]+ 323.99823 176.5
[M]- 323.99933 176.5
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.