CID 469150

Chembl23020

Structural Information

Molecular Formula
C14H8Cl3FN2
SMILES
C1=CC(=CC=C1CN2C3=CC(=C(C=C3N=C2Cl)Cl)Cl)F
InChI
InChI=1S/C14H8Cl3FN2/c15-10-5-12-13(6-11(10)16)20(14(17)19-12)7-8-1-3-9(18)4-2-8/h1-6H,7H2
InChIKey
PLBMTONBFSMWGQ-UHFFFAOYSA-N
Compound name
2,5,6-trichloro-1-[(4-fluorophenyl)methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.97372 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.98100 167.0
[M+Na]+ 350.96294 181.2
[M-H]- 326.96644 169.4
[M+NH4]+ 346.00754 183.1
[M+K]+ 366.93688 172.6
[M+H-H2O]+ 310.97098 158.7
[M+HCOO]- 372.97192 173.8
[M+CH3COO]- 386.98757 178.4
[M+Na-2H]- 348.94839 169.2
[M]+ 327.97317 172.1
[M]- 327.97427 172.1
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.