CID 14212774

1-(4-chlorophenyl)piperidin-4-one

Structural Information

Molecular Formula
C11H12ClNO
SMILES
C1CN(CCC1=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H12ClNO/c12-9-1-3-10(4-2-9)13-7-5-11(14)6-8-13/h1-4H,5-8H2
InChIKey
SUPUBCWGOUYLIG-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

209.06075 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.06803 143.5
[M+Na]+ 232.04997 151.2
[M-H]- 208.05347 148.3
[M+NH4]+ 227.09457 161.7
[M+K]+ 248.02391 146.7
[M+H-H2O]+ 192.05801 136.6
[M+HCOO]- 254.05895 159.0
[M+CH3COO]- 268.07460 183.9
[M+Na-2H]- 230.03542 148.3
[M]+ 209.06020 141.2
[M]- 209.06130 141.2
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