CID 4595338

N-1-azabicyclo(2.2.2)oct-3-yl-2-fluorobenzamide monohydrochloride

Structural Information

Molecular Formula
C14H17FN2O
SMILES
C1CN2CCC1C(C2)NC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C14H17FN2O/c15-12-4-2-1-3-11(12)14(18)16-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)
InChIKey
YWYLKYFZOMUTBF-UHFFFAOYSA-N
Compound name
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

248.13249 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.13977 152.2
[M+Na]+ 271.12171 155.5
[M-H]- 247.12521 149.1
[M+NH4]+ 266.16631 171.9
[M+K]+ 287.09565 151.9
[M+H-H2O]+ 231.12975 144.3
[M+HCOO]- 293.13069 162.3
[M+CH3COO]- 307.14634 161.0
[M+Na-2H]- 269.10716 161.6
[M]+ 248.13194 149.8
[M]- 248.13304 149.8
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

patents stripe