CID 3071154

87421-57-6

Structural Information

Molecular Formula
C22H24FNO2
SMILES
CN1[C@H]2CC[C@@H]1[C@H](CC2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)F
InChI
InChI=1S/C22H24FNO2/c1-24-18-12-14-19(24)20(15-13-18)26-21(25)22(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20H,12-15H2,1H3/t18-,19+,20-/m0/s1
InChIKey
PXPFOIYLNCPFCA-ZCNNSNEGSA-N
Compound name
[(1R,2S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 2-fluoro-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1791 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.18638 186.3
[M+Na]+ 376.16832 197.6
[M+NH4]+ 371.21292 194.2
[M+K]+ 392.14226 191.7
[M-H]- 352.17182 189.2
[M+Na-2H]- 374.15377 191.8
[M]+ 353.17855 188.7
[M]- 353.17965 188.7
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.