CID 14145040

2-(4-methoxyphenyl)-5-(trifluoromethyl)-1h-benzimidazole

Structural Information

Molecular Formula
C15H11F3N2O
SMILES
COC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F
InChI
InChI=1S/C15H11F3N2O/c1-21-11-5-2-9(3-6-11)14-19-12-7-4-10(15(16,17)18)8-13(12)20-14/h2-8H,1H3,(H,19,20)
InChIKey
PPQCRAZYFLVWOD-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

292.08234 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.08962 162.9
[M+Na]+ 315.07156 174.4
[M-H]- 291.07506 163.8
[M+NH4]+ 310.11616 178.2
[M+K]+ 331.04550 167.8
[M+H-H2O]+ 275.07960 152.4
[M+HCOO]- 337.08054 180.1
[M+CH3COO]- 351.09619 174.2
[M+Na-2H]- 313.05701 168.0
[M]+ 292.08179 161.3
[M]- 292.08289 161.3
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

patents stripe