CID 9876228

Schembl6951864

Structural Information

Molecular Formula
C19H20FNO3
SMILES
C1CNCC(C1C2=CC=C(C=C2)F)OCC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C19H20FNO3/c20-15-4-2-14(3-5-15)16-7-8-21-10-19(16)22-11-13-1-6-17-18(9-13)24-12-23-17/h1-6,9,16,19,21H,7-8,10-12H2
InChIKey
WUKPAJHFMBKCMX-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-ylmethoxy)-4-(4-fluorophenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

329.14273 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.150006 175.6
[M+Na]+ 352.131948 181.1
[M-H]- 328.135454 182.6
[M+NH4]+ 347.176553 186.9
[M+K]+ 368.105888 177.8
[M+H-H2O]+ 312.139990 165.9
[M+HCOO]- 374.140931 189.2
[M+CH3COO]- 388.156581 185.1
[M+Na-2H]- 350.117396 177.4
[M]+ 329.14218142 171.9
[M]- 329.14327858 171.9
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