CID 44543070

2-(4-fluorophenyl)-5-(trifluoromethyl)-1h-benzo[d]imidazole

Structural Information

Molecular Formula
C14H8F4N2
SMILES
C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)F
InChI
InChI=1S/C14H8F4N2/c15-10-4-1-8(2-5-10)13-19-11-6-3-9(14(16,17)18)7-12(11)20-13/h1-7H,(H,19,20)
InChIKey
ZOLVXJWGJKILLK-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.06235 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.06963 157.5
[M+Na]+ 303.05157 169.7
[M-H]- 279.05507 157.2
[M+NH4]+ 298.09617 173.3
[M+K]+ 319.02551 162.2
[M+H-H2O]+ 263.05961 146.4
[M+HCOO]- 325.06055 173.8
[M+CH3COO]- 339.07620 168.8
[M+Na-2H]- 301.03702 162.5
[M]+ 280.06180 153.1
[M]- 280.06290 153.1
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.