CID 3041114

53464-40-7

Structural Information

Molecular Formula
C15H11F3N2
SMILES
C1=CC=C(C=C1)CC2=NC3=C(N2)C=C(C=C3)C(F)(F)F
InChI
InChI=1S/C15H11F3N2/c16-15(17,18)11-6-7-12-13(9-11)20-14(19-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,19,20)
InChIKey
VJDKWYKAWASNKW-UHFFFAOYSA-N
Compound name
2-benzyl-6-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.08743 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.09471 159.1
[M+Na]+ 299.07665 169.9
[M-H]- 275.08015 159.6
[M+NH4]+ 294.12125 174.8
[M+K]+ 315.05059 162.6
[M+H-H2O]+ 259.08469 148.5
[M+HCOO]- 321.08563 176.2
[M+CH3COO]- 335.10128 170.2
[M+Na-2H]- 297.06210 164.8
[M]+ 276.08688 155.7
[M]- 276.08798 155.7
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