CID 3040199

Piperidine, 1-(4,4-bis(4-fluorophenyl)butyl)-, hydrochloride

Structural Information

Molecular Formula
C21H25F2N
SMILES
C1CCN(CC1)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H25F2N/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/h6-13,21H,1-5,14-16H2
InChIKey
CTFUUWFEHWHMTP-UHFFFAOYSA-N
Compound name
1-[4,4-bis(4-fluorophenyl)butyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

329.1955 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.20278 180.7
[M+Na]+ 352.18472 184.0
[M-H]- 328.18822 184.4
[M+NH4]+ 347.22932 192.2
[M+K]+ 368.15866 177.5
[M+H-H2O]+ 312.19276 168.3
[M+HCOO]- 374.19370 195.0
[M+CH3COO]- 388.20935 188.6
[M+Na-2H]- 350.17017 180.2
[M]+ 329.19495 173.5
[M]- 329.19605 173.5
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