CID 18367

Dechlorohaloperidol

Structural Information

Molecular Formula

C₂₁H₂₄FNO₂

SMILES

C1CN(CCC1(C2=CC=CC=C2)O)CCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FNO2/c22-19-10-8-17(9-11-19)20(24)7-4-14-23-15-12-21(25,13-16-23)18-5-2-1-3-6-18/h1-3,5-6,8-11,25H,4,7,12-16H2

InChIKey

FEFFZKPQSVTBAY-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 2
Patents: 341.1791 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	342.18638	183.5
[M+Na]+	364.16832	187.6
[M-H]-	340.17182	187.9
[M+NH4]+	359.21292	195.8
[M+K]+	380.14226	181.9
[M+H-H2O]+	324.17636	172.7
[M+HCOO]-	386.17730	198.2
[M+CH3COO]-	400.19295	208.6
[M+Na-2H]-	362.15377	184.5
[M]+	341.17855	178.1
[M]-	341.17965	178.1

Literature stripe

literature stripe

Patent stripe

patents stripe