CID 104034

3,5-dichlorophthalic anhydride

Structural Information

Molecular Formula

C₈H₂Cl₂O₃

SMILES

C1=C(C=C(C2=C1C(=O)OC2=O)Cl)Cl

InChI

InChI=1S/C8H2Cl2O3/c9-3-1-4-6(5(10)2-3)8(12)13-7(4)11/h1-2H

InChIKey

HIOZXJLZFVEQCC-UHFFFAOYSA-N

Compound name

4,6-dichloro-2-benzofuran-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 215.9381 Da
Monoisotopic Mass: 2.5
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]+	216.94538	134.8
[M+Na]+	238.92732	149.9
[M+NH4]+	233.97192	144.1
[M+K]+	254.90126	145.0
[M-H]-	214.93082	137.7
[M+Na-2H]-	236.91277	139.9
[M]+	215.93755	138.4
[M]-	215.93865	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe