CID 469165

Chembl278997

Structural Information

Molecular Formula
C14H8BrCl2FN2
SMILES
C1=CC(=CC=C1CN2C3=CC(=C(C=C3N=C2Br)Cl)Cl)F
InChI
InChI=1S/C14H8BrCl2FN2/c15-14-19-12-5-10(16)11(17)6-13(12)20(14)7-8-1-3-9(18)4-2-8/h1-6H,7H2
InChIKey
DBKKZDWGHLNCKQ-UHFFFAOYSA-N
Compound name
2-bromo-5,6-dichloro-1-[(4-fluorophenyl)methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.9232 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.93048 169.9
[M+Na]+ 394.91242 187.5
[M-H]- 370.91592 176.7
[M+NH4]+ 389.95702 188.5
[M+K]+ 410.88636 171.8
[M+H-H2O]+ 354.92046 168.5
[M+HCOO]- 416.92140 180.8
[M+CH3COO]- 430.93705 184.1
[M+Na-2H]- 392.89787 174.6
[M]+ 371.92265 193.2
[M]- 371.92375 193.2
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.