CID 2727728

4-(4-chlorophenyl)piperidine-2,6-dione

Structural Information

Molecular Formula
C11H10ClNO2
SMILES
C1C(CC(=O)NC1=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H10ClNO2/c12-9-3-1-7(2-4-9)8-5-10(14)13-11(15)6-8/h1-4,8H,5-6H2,(H,13,14,15)
InChIKey
KOZWYRYCGOBBKD-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

6
Patents

223.04001 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.04729 145.7
[M+Na]+ 246.02923 154.1
[M-H]- 222.03273 149.5
[M+NH4]+ 241.07383 162.8
[M+K]+ 262.00317 148.7
[M+H-H2O]+ 206.03727 139.3
[M+HCOO]- 268.03821 160.1
[M+CH3COO]- 282.05386 183.7
[M+Na-2H]- 244.01468 149.3
[M]+ 223.03946 142.7
[M]- 223.04056 142.7
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