CID 88602

20583-44-2

Structural Information

Molecular Formula

C₁₀H₆ClNO₂

SMILES

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

InChI

InChI=1S/C10H6ClNO2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-6H

InChIKey

MQDUGZKSWGCSEX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.00871 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]+	208.01599	139.9
[M+Na]+	229.99793	153.7
[M+NH4]+	225.04253	148.4
[M+K]+	245.97187	148.1
[M-H]-	206.00143	140.9
[M+Na-2H]-	227.98338	144.9
[M]+	207.00816	142.3
[M]-	207.00926	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.