CID 82077908

1-(2-chlorophenyl)piperidin-2-one

Structural Information

Molecular Formula
C11H12ClNO
SMILES
C1CCN(C(=O)C1)C2=CC=CC=C2Cl
InChI
InChI=1S/C11H12ClNO/c12-9-5-1-2-6-10(9)13-8-4-3-7-11(13)14/h1-2,5-6H,3-4,7-8H2
InChIKey
IENRQYXCTZLQDI-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

209.06075 Da
Monoisotopic Mass

2.3
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

literature stripe

Patent stripe

patents stripe