CID 145710

Endosulfan lactone

Structural Information

Molecular Formula

C₉H₄Cl₆O₂

SMILES

C1C2C(C(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl

InChI

InChI=1S/C9H4Cl6O2/c10-4-5(11)8(13)3-2(1-17-6(3)16)7(4,12)9(8,14)15/h2-3H,1H2

InChIKey

GIUKJJMBQBRFTN-UHFFFAOYSA-N

Compound name

1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 38
Patents: 353.83426 Da
Monoisotopic Mass: 2.9
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]+	354.841536	179.1
[M+Na]+	376.823478	190.2
[M-H]-	352.826984	177.1
[M+NH4]+	371.868083	200.7
[M+K]+	392.797418	184.6
[M+H-H2O]+	336.831520	179.1
[M+HCOO]-	398.832461	169.0
[M+CH3COO]-	412.848111	186.4
[M+Na-2H]-	374.808926	176.2
[M]+	353.83371142	177.1
[M]-	353.83480858	177.1

Literature stripe

literature stripe

Patent stripe

patents stripe