CID 121726

1-ethyl-2-methyl-5-(trifluoromethyl)-1h-benzimidazole

Structural Information

Molecular Formula
C11H11F3N2
SMILES
CCN1C(=NC2=C1C=CC(=C2)C(F)(F)F)C
InChI
InChI=1S/C11H11F3N2/c1-3-16-7(2)15-9-6-8(11(12,13)14)4-5-10(9)16/h4-6H,3H2,1-2H3
InChIKey
LXNGDRGLRRDJOB-UHFFFAOYSA-N
Compound name
1-ethyl-2-methyl-5-(trifluoromethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

228.08743 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09471 146.3
[M+Na]+ 251.07665 158.8
[M-H]- 227.08015 145.5
[M+NH4]+ 246.12125 165.6
[M+K]+ 267.05059 154.3
[M+H-H2O]+ 211.08469 137.3
[M+HCOO]- 273.08563 164.8
[M+CH3COO]- 287.10128 191.2
[M+Na-2H]- 249.06210 151.7
[M]+ 228.08688 146.1
[M]- 228.08798 146.1
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

patents stripe