CID 41070

4-acylo-4-(3-chlorofenylo)piperydyny chlorowodorku [polish]

Structural Information

Molecular Formula
C13H16ClNO
SMILES
CC(=O)C1(CCNCC1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H16ClNO/c1-10(16)13(5-7-15-8-6-13)11-3-2-4-12(14)9-11/h2-4,9,15H,5-8H2,1H3
InChIKey
QJTHRDKEZRYUDA-UHFFFAOYSA-N
Compound name
1-[4-(3-chlorophenyl)piperidin-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

237.09204 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09932 152.7
[M+Na]+ 260.08126 158.9
[M-H]- 236.08476 155.9
[M+NH4]+ 255.12586 170.7
[M+K]+ 276.05520 153.7
[M+H-H2O]+ 220.08930 146.3
[M+HCOO]- 282.09024 165.2
[M+CH3COO]- 296.10589 186.6
[M+Na-2H]- 258.06671 156.5
[M]+ 237.09149 148.6
[M]- 237.09259 148.6
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

patents stripe