CID 469138

Chembl283158

Structural Information

Molecular Formula
C15H11Cl3N2O
SMILES
COC1=CC=C(C=C1)CN2C3=CC(=C(C=C3N=C2Cl)Cl)Cl
InChI
InChI=1S/C15H11Cl3N2O/c1-21-10-4-2-9(3-5-10)8-20-14-7-12(17)11(16)6-13(14)19-15(20)18/h2-7H,8H2,1H3
InChIKey
LGPPJWDJGHIEDL-UHFFFAOYSA-N
Compound name
2,5,6-trichloro-1-[(4-methoxyphenyl)methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.99368 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.00096 172.6
[M+Na]+ 362.98290 186.2
[M-H]- 338.98640 176.4
[M+NH4]+ 358.02750 188.2
[M+K]+ 378.95684 178.5
[M+H-H2O]+ 322.99094 165.0
[M+HCOO]- 384.99188 180.3
[M+CH3COO]- 399.00753 184.0
[M+Na-2H]- 360.96835 174.8
[M]+ 339.99313 180.3
[M]- 339.99423 180.3
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

No patent data available for this compound.