CID 41536

Cloroperone

Structural Information

Molecular Formula

C₂₂H₂₃ClFNO₂

SMILES

C1CN(CCC1C(=O)C2=CC=C(C=C2)Cl)CCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H23ClFNO2/c23-19-7-3-17(4-8-19)22(27)18-11-14-25(15-12-18)13-1-2-21(26)16-5-9-20(24)10-6-16/h3-10,18H,1-2,11-15H2

InChIKey

OCXLBOACUPDBRL-UHFFFAOYSA-N

Compound name

4-[4-(4-chlorobenzoyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 345
Patents: 387.14014 Da
Monoisotopic Mass: 4.5
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]+	388.147416	191.6
[M+Na]+	410.129358	196.3
[M-H]-	386.132864	197.0
[M+NH4]+	405.173963	201.7
[M+K]+	426.103298	189.2
[M+H-H2O]+	370.137400	180.8
[M+HCOO]-	432.138341	202.0
[M+CH3COO]-	446.153991	219.3
[M+Na-2H]-	408.114806	189.2
[M]+	387.13959142	189.6
[M]-	387.14068858	189.6

Literature stripe

literature stripe

Patent stripe

patents stripe