CID 3046184

3-(4-fluorophenyl)-1'-hydroxyspiro(isobenzofuran-1(3h),4'-piperidine)

Structural Information

Molecular Formula
C18H18FNO2
SMILES
C1CN(CCC12C3=CC=CC=C3C(O2)C4=CC=C(C=C4)F)O
InChI
InChI=1S/C18H18FNO2/c19-14-7-5-13(6-8-14)17-15-3-1-2-4-16(15)18(22-17)9-11-20(21)12-10-18/h1-8,17,21H,9-12H2
InChIKey
ORBDDYVDYCHQEY-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-1'-hydroxyspiro[1H-2-benzofuran-3,4'-piperidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

299.13217 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13945 171.2
[M+Na]+ 322.12139 184.4
[M+NH4]+ 317.16599 181.3
[M+K]+ 338.09533 176.5
[M-H]- 298.12489 176.4
[M+Na-2H]- 320.10684 178.3
[M]+ 299.13162 174.7
[M]- 299.13272 174.7
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