CID 3064989

Brn 4189547

Structural Information

Molecular Formula
C17H15FN2
SMILES
C1=CC=C(C=C1)C(CC2=CN=CN2)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H15FN2/c18-15-8-6-14(7-9-15)17(10-16-11-19-12-20-16)13-4-2-1-3-5-13/h1-9,11-12,17H,10H2,(H,19,20)
InChIKey
DMLFVXMQXYRKHV-UHFFFAOYSA-N
Compound name
5-[2-(4-fluorophenyl)-2-phenylethyl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.12192 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12920 160.1
[M+Na]+ 289.11114 166.9
[M-H]- 265.11464 164.3
[M+NH4]+ 284.15574 174.2
[M+K]+ 305.08508 160.4
[M+H-H2O]+ 249.11918 149.6
[M+HCOO]- 311.12012 179.4
[M+CH3COO]- 325.13577 170.7
[M+Na-2H]- 287.09659 163.3
[M]+ 266.12137 156.3
[M]- 266.12247 156.3
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.