CID 208045

1-(4-chlorophenyl)-3-phenylpyrrolidine-2,5-dione

Structural Information

Molecular Formula
C16H12ClNO2
SMILES
C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C16H12ClNO2/c17-12-6-8-13(9-7-12)18-15(19)10-14(16(18)20)11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKey
NQDDHKGXBXCLFX-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-phenylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.05566 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.06294 163.6
[M+Na]+ 308.04488 173.5
[M-H]- 284.04838 172.4
[M+NH4]+ 303.08948 180.5
[M+K]+ 324.01882 167.0
[M+H-H2O]+ 268.05292 155.6
[M+HCOO]- 330.05386 181.3
[M+CH3COO]- 344.06951 176.1
[M+Na-2H]- 306.03033 164.7
[M]+ 285.05511 164.3
[M]- 285.05621 164.3
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.