CID 469123

Chembl22714

Structural Information

Molecular Formula
C14H10Cl3N3
SMILES
C1=CC(=CC=C1CN2C3=CC(=C(C=C3N=C2N)Cl)Cl)Cl
InChI
InChI=1S/C14H10Cl3N3/c15-9-3-1-8(2-4-9)7-20-13-6-11(17)10(16)5-12(13)19-14(20)18/h1-6H,7H2,(H2,18,19)
InChIKey
CMTBKRRPDXVGHL-UHFFFAOYSA-N
Compound name
5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.99402 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.00130 170.7
[M+Na]+ 347.98324 184.1
[M-H]- 323.98674 174.1
[M+NH4]+ 343.02784 186.5
[M+K]+ 363.95718 175.6
[M+H-H2O]+ 307.99128 163.4
[M+HCOO]- 369.99222 179.0
[M+CH3COO]- 384.00787 181.9
[M+Na-2H]- 345.96869 172.9
[M]+ 324.99347 175.4
[M]- 324.99457 175.4
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.