CID 2777115

4-(4-chlorobenzoyl)piperidine

Structural Information

Molecular Formula

C₁₂H₁₄ClNO

SMILES

C1CNCCC1C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H14ClNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-4,10,14H,5-8H2

InChIKey

IYGWDOXHCPQXKN-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)-piperidin-4-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 500
Patents: 223.07639 Da
Monoisotopic Mass: 2.3
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]+	224.08367	148.5
[M+Na]+	246.06561	154.1
[M-H]-	222.06911	151.4
[M+NH4]+	241.11021	165.0
[M+K]+	262.03955	148.9
[M+H-H2O]+	206.07365	141.6
[M+HCOO]-	268.07459	161.2
[M+CH3COO]-	282.09024	184.0
[M+Na-2H]-	244.05106	151.8
[M]+	223.07584	143.8
[M]-	223.07694	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe