CID 46886440

Chembl1091651

Structural Information

Molecular Formula
C16H13F3N2O2
SMILES
COC1=CC(=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)OC
InChI
InChI=1S/C16H13F3N2O2/c1-22-10-4-5-11(14(8-10)23-2)15-20-12-6-3-9(16(17,18)19)7-13(12)21-15/h3-8H,1-2H3,(H,20,21)
InChIKey
CMMSXFHIHRBMCD-UHFFFAOYSA-N
Compound name
2-(2,4-dimethoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.09293 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.10021 171.1
[M+Na]+ 345.08215 182.9
[M-H]- 321.08565 172.3
[M+NH4]+ 340.12675 185.4
[M+K]+ 361.05609 176.7
[M+H-H2O]+ 305.09019 160.6
[M+HCOO]- 367.09113 188.1
[M+CH3COO]- 381.10678 204.6
[M+Na-2H]- 343.06760 175.0
[M]+ 322.09238 171.7
[M]- 322.09348 171.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.