CID 234274

6270-06-0

Structural Information

Molecular Formula

C₁₀H₈ClNO₂

SMILES

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

InChI

InChI=1S/C10H8ClNO2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2

InChIKey

ZPHGARLYQHMNTB-UHFFFAOYSA-N

Compound name

2-(2-chloroethyl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 98
Patents: 209.02435 Da
Monoisotopic Mass: 2.1
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]+	210.03163	140.4
[M+Na]+	232.01357	154.1
[M+NH4]+	227.05817	149.2
[M+K]+	247.98751	148.6
[M-H]-	208.01707	141.7
[M+Na-2H]-	229.99902	145.5
[M]+	209.02380	142.9
[M]-	209.02490	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe