CID 3040220

1-(4,4-bis(4-fluorophenyl)-3-butenyl)piperidine maleate

Structural Information

Molecular Formula
C21H23F2N
SMILES
C1CCN(CC1)CCC=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H23F2N/c22-19-10-6-17(7-11-19)21(18-8-12-20(23)13-9-18)5-4-16-24-14-2-1-3-15-24/h5-13H,1-4,14-16H2
InChIKey
ZEAXKBCTWRYMLK-UHFFFAOYSA-N
Compound name
1-[4,4-bis(4-fluorophenyl)but-3-enyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.17987 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.18715 183.6
[M+Na]+ 350.16909 196.0
[M+NH4]+ 345.21369 190.9
[M+K]+ 366.14303 186.3
[M-H]- 326.17259 187.1
[M+Na-2H]- 348.15454 191.3
[M]+ 327.17932 186.3
[M]- 327.18042 186.3
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.