CID 24693065

1-(2-chlorobenzoyl)piperidin-4-one

Structural Information

Molecular Formula
C12H12ClNO2
SMILES
C1CN(CCC1=O)C(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C12H12ClNO2/c13-11-4-2-1-3-10(11)12(16)14-7-5-9(15)6-8-14/h1-4H,5-8H2
InChIKey
BSCVZXWTQZIDPE-UHFFFAOYSA-N
Compound name
1-(2-chlorobenzoyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.05565 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.06293 149.8
[M+Na]+ 260.04487 157.1
[M-H]- 236.04837 154.6
[M+NH4]+ 255.08947 166.7
[M+K]+ 276.01881 152.8
[M+H-H2O]+ 220.05291 142.8
[M+HCOO]- 282.05385 164.4
[M+CH3COO]- 296.06950 188.3
[M+Na-2H]- 258.03032 152.9
[M]+ 237.05510 148.0
[M]- 237.05620 148.0
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.