CID 469146

Chembl22658

Structural Information

Molecular Formula
C14H8Cl4N2
SMILES
C1=CC=C(C(=C1)CN2C3=CC(=C(C=C3N=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C14H8Cl4N2/c15-9-4-2-1-3-8(9)7-20-13-6-11(17)10(16)5-12(13)19-14(20)18/h1-6H,7H2
InChIKey
MWWGPELVXTWROB-UHFFFAOYSA-N
Compound name
2,5,6-trichloro-1-[(2-chlorophenyl)methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.94415 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.95143 172.4
[M+Na]+ 366.93337 185.7
[M-H]- 342.93687 174.1
[M+NH4]+ 361.97797 187.3
[M+K]+ 382.90731 177.7
[M+H-H2O]+ 326.94141 164.9
[M+HCOO]- 388.94235 174.3
[M+CH3COO]- 402.95800 182.5
[M+Na-2H]- 364.91882 173.4
[M]+ 343.94360 177.3
[M]- 343.94470 177.3
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.