CID 46886439

2-(3-methoxyphenyl)-5-(trifluoromethyl)-1h-benzimidazole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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

No patent data available for this compound.