CID 299439

Nsc172508

Structural Information

Molecular Formula

C₁₂H₅ClO₃

SMILES

C1=CC(=CC2=C1C=CC3=C2C(=O)OC3=O)Cl

InChI

InChI=1S/C12H5ClO3/c13-7-3-1-6-2-4-8-10(9(6)5-7)12(15)16-11(8)14/h1-5H

InChIKey

OKYDGVMQXHOELK-UHFFFAOYSA-N

Compound name

8-chlorobenzo[e][2]benzofuran-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 231.99272 Da
Monoisotopic Mass: 3.2
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]+	233.00000	143.9
[M+Na]+	254.98194	156.9
[M-H]-	230.98544	151.1
[M+NH4]+	250.02654	166.0
[M+K]+	270.95588	152.7
[M+H-H2O]+	214.98998	139.8
[M+HCOO]-	276.99092	162.0
[M+CH3COO]-	291.00657	159.0
[M+Na-2H]-	252.96739	150.7
[M]+	231.99217	149.0
[M]-	231.99327	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe