CID 46886390

Chembl1089234

Structural Information

Molecular Formula
C15H12F3N3
SMILES
CN1C2=C(C=C(C=C2)C(F)(F)F)N=C1C3=CC=C(C=C3)N
InChI
InChI=1S/C15H12F3N3/c1-21-13-7-4-10(15(16,17)18)8-12(13)20-14(21)9-2-5-11(19)6-3-9/h2-8H,19H2,1H3
InChIKey
JYXJRMWNHAAOKB-UHFFFAOYSA-N
Compound name
4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.09833 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10561 163.9
[M+Na]+ 314.08755 176.1
[M-H]- 290.09105 166.1
[M+NH4]+ 309.13215 179.8
[M+K]+ 330.06149 169.3
[M+H-H2O]+ 274.09559 153.3
[M+HCOO]- 336.09653 182.9
[M+CH3COO]- 350.11218 175.6
[M+Na-2H]- 312.07300 168.3
[M]+ 291.09778 161.6
[M]- 291.09888 161.6
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.