CID 3064995

4-(2-(2-fluorophenyl)-2-(4-fluorophenyl)ethyl)-1h-imidazole monohydrochloride

Structural Information

Molecular Formula
C17H14F2N2
SMILES
C1=CC=C(C(=C1)C(CC2=CN=CN2)C3=CC=C(C=C3)F)F
InChI
InChI=1S/C17H14F2N2/c18-13-7-5-12(6-8-13)16(9-14-10-20-11-21-14)15-3-1-2-4-17(15)19/h1-8,10-11,16H,9H2,(H,20,21)
InChIKey
OLXNHUGKGDUDFD-UHFFFAOYSA-N
Compound name
5-[2-(2-fluorophenyl)-2-(4-fluorophenyl)ethyl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.11252 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11980 163.0
[M+Na]+ 307.10174 170.8
[M-H]- 283.10524 166.3
[M+NH4]+ 302.14634 176.6
[M+K]+ 323.07568 163.8
[M+H-H2O]+ 267.10978 151.8
[M+HCOO]- 329.11072 181.2
[M+CH3COO]- 343.12637 173.4
[M+Na-2H]- 305.08719 164.9
[M]+ 284.11197 158.6
[M]- 284.11307 158.6
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

No patent data available for this compound.