CID 3071967

Brn 4815397

Structural Information

Molecular Formula
C16H18ClNO2
SMILES
C1CCC(CC1)N2C(=O)CC(C2=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C16H18ClNO2/c17-14-9-5-4-8-12(14)13-10-15(19)18(16(13)20)11-6-2-1-3-7-11/h4-5,8-9,11,13H,1-3,6-7,10H2
InChIKey
INBBSMREHJIPBM-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1026 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10988 168.4
[M+Na]+ 314.09182 175.2
[M-H]- 290.09532 176.0
[M+NH4]+ 309.13642 184.8
[M+K]+ 330.06576 169.3
[M+H-H2O]+ 274.09986 160.5
[M+HCOO]- 336.10080 181.8
[M+CH3COO]- 350.11645 179.2
[M+Na-2H]- 312.07727 166.5
[M]+ 291.10205 164.8
[M]- 291.10315 164.8
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.