CID 469162

Chembl280386

Structural Information

Molecular Formula
C16H7BrCl2F6N2
SMILES
C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CN2C3=CC(=C(C=C3N=C2Br)Cl)Cl
InChI
InChI=1S/C16H7BrCl2F6N2/c17-14-26-12-4-10(18)11(19)5-13(12)27(14)6-7-1-8(15(20,21)22)3-9(2-7)16(23,24)25/h1-5H,6H2
InChIKey
VLTBSMKQQCTCOJ-UHFFFAOYSA-N
Compound name
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-bromo-5,6-dichlorobenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

489.90738 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.91466 200.2
[M+Na]+ 512.89660 218.5
[M-H]- 488.90010 201.6
[M+NH4]+ 507.94120 214.4
[M+K]+ 528.87054 201.2
[M+H-H2O]+ 472.90464 194.9
[M+HCOO]- 534.90558 202.5
[M+CH3COO]- 548.92123 227.8
[M+Na-2H]- 510.88205 201.4
[M]+ 489.90683 217.9
[M]- 489.90793 217.9
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.