CID 46886471

Chembl1091257

Structural Information

Molecular Formula
C15H12F3N3O
SMILES
COC1=CC(=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)N
InChI
InChI=1S/C15H12F3N3O/c1-22-9-3-4-10(11(19)7-9)14-20-12-5-2-8(15(16,17)18)6-13(12)21-14/h2-7H,19H2,1H3,(H,20,21)
InChIKey
HDJHXWOQMVKLAP-UHFFFAOYSA-N
Compound name
5-methoxy-2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.09326 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.10054 166.9
[M+Na]+ 330.08248 178.4
[M-H]- 306.08598 167.8
[M+NH4]+ 325.12708 181.3
[M+K]+ 346.05642 171.5
[M+H-H2O]+ 290.09052 156.5
[M+HCOO]- 352.09146 184.6
[M+CH3COO]- 366.10711 204.0
[M+Na-2H]- 328.06793 171.0
[M]+ 307.09271 164.2
[M]- 307.09381 164.2
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.