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 179.8
[M+Na]+ 350.16909 183.6
[M-H]- 326.17259 183.6
[M+NH4]+ 345.21369 191.4
[M+K]+ 366.14303 176.5
[M+H-H2O]+ 310.17713 167.6
[M+HCOO]- 372.17807 194.4
[M+CH3COO]- 386.19372 187.8
[M+Na-2H]- 348.15454 179.4
[M]+ 327.17932 171.9
[M]- 327.18042 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

No patent data available for this compound.