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
9
Annotation Hits

17152
References

114765
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 188.4
[M+Na]+ 398.12936 194.2
[M-H]- 374.13286 192.9
[M+NH4]+ 393.17396 200.6
[M+K]+ 414.10330 186.9
[M+H-H2O]+ 358.13740 178.3
[M+HCOO]- 420.13834 198.5
[M+CH3COO]- 434.15399 213.3
[M+Na-2H]- 396.11481 188.3
[M]+ 375.13959 185.8
[M]- 375.14069 185.8
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.