CID 99724

36342-13-9

Structural Information

Molecular Formula

C₁₁H₁₀ClNO₃

SMILES

COC1=CC=C(C=C1)N2C(=O)CC(C2=O)Cl

InChI

InChI=1S/C11H10ClNO3/c1-16-8-4-2-7(3-5-8)13-10(14)6-9(12)11(13)15/h2-5,9H,6H2,1H3

InChIKey

UKFITXSLZKBHSN-UHFFFAOYSA-N

Compound name

3-chloro-1-(4-methoxyphenyl)pyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 239.03493 Da
Monoisotopic Mass: 1.4
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]+	240.04221	148.3
[M+Na]+	262.02415	158.9
[M-H]-	238.02765	154.3
[M+NH4]+	257.06875	167.6
[M+K]+	277.99809	154.8
[M+H-H2O]+	222.03219	142.2
[M+HCOO]-	284.03313	166.6
[M+CH3COO]-	298.04878	189.1
[M+Na-2H]-	260.00960	150.2
[M]+	239.03438	151.1
[M]-	239.03548	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe