CID 119265

34104-67-1

Structural Information

Molecular Formula
C21H25ClFNO2
SMILES
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(C3=CC=C(C=C3)F)O
InChI
InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2
InChIKey
WNZBBTJFOIOEMP-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

73
References

180
Patents

377.1558 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.16308 189.2
[M+Na]+ 400.14502 194.3
[M-H]- 376.14852 192.4
[M+NH4]+ 395.18962 200.7
[M+K]+ 416.11896 186.8
[M+H-H2O]+ 360.15306 179.6
[M+HCOO]- 422.15400 197.7
[M+CH3COO]- 436.16965 211.7
[M+Na-2H]- 398.13047 188.8
[M]+ 377.15525 185.6
[M]- 377.15635 185.6
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.