CID 43155364

1497-18-3

Structural Information

Molecular Formula

C₁₁H₁₀ClNO₂

SMILES

CC1(CC(=O)NC1=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H10ClNO2/c1-11(6-9(14)13-10(11)15)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,13,14,15)

InChIKey

UUGLTVQGULWIPD-UHFFFAOYSA-N

Compound name

3-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 223.04001 Da
Monoisotopic Mass: 1.6
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]+	224.047286	145.1
[M+Na]+	246.029228	155.5
[M-H]-	222.032734	149.8
[M+NH4]+	241.073833	166.3
[M+K]+	262.003168	150.1
[M+H-H2O]+	206.037270	140.0
[M+HCOO]-	268.038211	161.9
[M+CH3COO]-	282.053861	182.8
[M+Na-2H]-	244.014676	148.5
[M]+	223.03946142	144.6
[M]-	223.04055858	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.