CID 223787

35750-02-8

Structural Information

Molecular Formula

C₁₁H₈ClNO₃

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)CCl

InChI

InChI=1S/C11H8ClNO3/c12-5-7(14)6-13-10(15)8-3-1-2-4-9(8)11(13)16/h1-4H,5-6H2

InChIKey

GUEXBHONHJVHTM-UHFFFAOYSA-N

Compound name

2-(3-chloro-2-oxopropyl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 237.01927 Da
Monoisotopic Mass: 1.7
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]+	238.02655	147.0
[M+Na]+	260.00849	159.7
[M+NH4]+	255.05309	154.6
[M+K]+	275.98243	155.2
[M-H]-	236.01199	147.3
[M+Na-2H]-	257.99394	151.0
[M]+	237.01872	148.9
[M]-	237.01982	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe