CID 27616

4-(3-azabicyclo(3.2.2)nonyl)-4-fluorobutyrophenone hydrochloride

Structural Information

Molecular Formula
C18H24FNO
SMILES
C1CC2(CCC1CNC2)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H24FNO/c19-16-5-3-15(4-6-16)17(21)2-1-9-18-10-7-14(8-11-18)12-20-13-18/h3-6,14,20H,1-2,7-13H2
InChIKey
LVGDWVVFKLHIAQ-UHFFFAOYSA-N
Compound name
4-(3-azabicyclo[3.2.2]nonan-1-yl)-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

289.1842 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.19148 172.4
[M+Na]+ 312.17342 179.1
[M-H]- 288.17692 172.6
[M+NH4]+ 307.21802 190.1
[M+K]+ 328.14736 173.0
[M+H-H2O]+ 272.18146 170.4
[M+HCOO]- 334.18240 179.8
[M+CH3COO]- 348.19805 179.7
[M+Na-2H]- 310.15887 179.4
[M]+ 289.18365 168.6
[M]- 289.18475 168.6
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

patents stripe