CID 469133

Chembl22792

Structural Information

Molecular Formula
C16H9Cl2F6N3
SMILES
C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CN2C3=CC(=C(C=C3N=C2N)Cl)Cl
InChI
InChI=1S/C16H9Cl2F6N3/c17-10-4-12-13(5-11(10)18)27(14(25)26-12)6-7-1-8(15(19,20)21)3-9(2-7)16(22,23)24/h1-5H,6H2,(H2,25,26)
InChIKey
IPWRKZPJEHZSNT-UHFFFAOYSA-N
Compound name
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5,6-dichlorobenzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

427.00778 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.01506 189.6
[M+Na]+ 449.99700 204.3
[M-H]- 426.00050 187.5
[M+NH4]+ 445.04160 201.5
[M+K]+ 465.97094 194.2
[M+H-H2O]+ 410.00504 177.4
[M+HCOO]- 472.00598 193.5
[M+CH3COO]- 486.02163 225.2
[M+Na-2H]- 447.98245 189.8
[M]+ 427.00723 187.9
[M]- 427.00833 187.9
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.