CID 214228

Propiophenone, 3',4'-dichloro-3-piperidino-, hydrochloride

Structural Information

Molecular Formula
C14H17Cl2NO
SMILES
C1CCN(CC1)CCC(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H17Cl2NO/c15-12-5-4-11(10-13(12)16)14(18)6-9-17-7-2-1-3-8-17/h4-5,10H,1-3,6-9H2
InChIKey
WADMFRAESZCYFS-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

285.06873 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07601 162.7
[M+Na]+ 308.05795 169.1
[M-H]- 284.06145 166.1
[M+NH4]+ 303.10255 178.1
[M+K]+ 324.03189 163.0
[M+H-H2O]+ 268.06599 155.7
[M+HCOO]- 330.06693 171.1
[M+CH3COO]- 344.08258 198.2
[M+Na-2H]- 306.04340 163.8
[M]+ 285.06818 162.1
[M]- 285.06928 162.1
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

patents stripe