CID 2783926

42473-02-9

Structural Information

Molecular Formula

C₁₂H₉NO₄

SMILES

C1COC(=O)C1N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C12H9NO4/c14-10-7-3-1-2-4-8(7)11(15)13(10)9-5-6-17-12(9)16/h1-4,9H,5-6H2

InChIKey

HPJABVAESJDAES-UHFFFAOYSA-N

Compound name

2-(2-oxooxolan-3-yl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 9
Patents: 231.05316 Da
Monoisotopic Mass: 1.0
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]+	232.06044	148.1
[M+Na]+	254.04238	159.5
[M+NH4]+	249.08698	155.6
[M+K]+	270.01632	158.3
[M-H]-	230.04588	151.0
[M+Na-2H]-	252.02783	151.3
[M]+	231.05261	150.2
[M]-	231.05371	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe