CID 119265

Reduced haloperidol

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

225
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

literature stripe

Patent stripe

patents stripe