CID 43650673

4-(4-fluorophenyl)-2-(pyrrolidin-2-yl)-1h-imidazole

Structural Information

Molecular Formula
C13H14FN3
SMILES
C1CC(NC1)C2=NC=C(N2)C3=CC=C(C=C3)F
InChI
InChI=1S/C13H14FN3/c14-10-5-3-9(4-6-10)12-8-16-13(17-12)11-2-1-7-15-11/h3-6,8,11,15H,1-2,7H2,(H,16,17)
InChIKey
ALHPQZHCDUZSKY-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-2-pyrrolidin-2-yl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

231.11717 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.12445 150.3
[M+Na]+ 254.10639 157.5
[M-H]- 230.10989 152.4
[M+NH4]+ 249.15099 166.0
[M+K]+ 270.08033 151.6
[M+H-H2O]+ 214.11443 140.4
[M+HCOO]- 276.11537 167.2
[M+CH3COO]- 290.13102 160.9
[M+Na-2H]- 252.09184 150.7
[M]+ 231.11662 143.1
[M]- 231.11772 143.1
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