CID 3559

Haloperidol

Structural Information

Molecular Formula
C21H23ClFNO2
SMILES
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H23ClFNO2/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/h3-10,26H,1-2,11-15H2
InChIKey
LNEPOXFFQSENCJ-UHFFFAOYSA-N
Compound name
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

17131
References

92359
Patents

375.14014 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.14742 189.8
[M+Na]+ 398.12936 203.4
[M+NH4]+ 393.17396 198.3
[M+K]+ 414.10330 192.6
[M-H]- 374.13286 193.7
[M+Na-2H]- 396.11481 198.6
[M]+ 375.13959 193.2
[M]- 375.14069 193.2
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