CID 4962536

1-[chloro(phenyl)acetyl]piperidine

Structural Information

Molecular Formula
C13H16ClNO
SMILES
C1CCN(CC1)C(=O)C(C2=CC=CC=C2)Cl
InChI
InChI=1S/C13H16ClNO/c14-12(11-7-3-1-4-8-11)13(16)15-9-5-2-6-10-15/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKey
ACZICANKVRIYSF-UHFFFAOYSA-N
Compound name
2-chloro-2-phenyl-1-piperidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.09204 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09932 153.0
[M+Na]+ 260.08126 166.0
[M+NH4]+ 255.12586 162.1
[M+K]+ 276.05520 158.4
[M-H]- 236.08476 156.7
[M+Na-2H]- 258.06671 160.7
[M]+ 237.09149 156.1
[M]- 237.09259 156.1
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.