CID 91654450

3-(4-chlorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane hydrochloride

Structural Information

Molecular Formula
C13H15ClFN
SMILES
C1CC2CC(CC1N2)(C3=CC=C(C=C3)Cl)F
InChI
InChI=1S/C13H15ClFN/c14-10-3-1-9(2-4-10)13(15)7-11-5-6-12(8-13)16-11/h1-4,11-12,16H,5-8H2
InChIKey
ABMKJTHWFVXSEP-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0877 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.09498 152.9
[M+Na]+ 262.07692 161.0
[M-H]- 238.08042 154.4
[M+NH4]+ 257.12152 174.7
[M+K]+ 278.05086 154.1
[M+H-H2O]+ 222.08496 145.9
[M+HCOO]- 284.08590 163.8
[M+CH3COO]- 298.10155 164.0
[M+Na-2H]- 260.06237 156.5
[M]+ 239.08715 148.0
[M]- 239.08825 148.0
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.