CID 3071967

139477-43-3

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	292.109876	168.4
[M+Na]+	314.091818	175.2
[M-H]-	290.095324	176.0
[M+NH4]+	309.136423	184.8
[M+K]+	330.065758	169.3
[M+H-H2O]+	274.099860	160.5
[M+HCOO]-	336.100801	181.8
[M+CH3COO]-	350.116451	179.2
[M+Na-2H]-	312.077266	166.5
[M]+	291.10205142	164.8
[M]-	291.10314858	164.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.