CID 3040197

1,1-bis(4-fluorophenyl)-4-piperidinobutanol hydrochloride

Structural Information

Molecular Formula
C21H25F2NO
SMILES
C1CCN(CC1)CCCC(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)O
InChI
InChI=1S/C21H25F2NO/c22-19-9-5-17(6-10-19)21(25,18-7-11-20(23)12-8-18)13-4-16-24-14-2-1-3-15-24/h5-12,25H,1-4,13-16H2
InChIKey
HPXORTORPWLRKS-UHFFFAOYSA-N
Compound name
1,1-bis(4-fluorophenyl)-4-piperidin-1-ylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.19043 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.19771 184.1
[M+Na]+ 368.17965 187.7
[M-H]- 344.18315 186.8
[M+NH4]+ 363.22425 194.4
[M+K]+ 384.15359 181.0
[M+H-H2O]+ 328.18769 172.4
[M+HCOO]- 390.18863 196.5
[M+CH3COO]- 404.20428 210.0
[M+Na-2H]- 366.16510 185.3
[M]+ 345.18988 176.7
[M]- 345.19098 176.7
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.