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
3
Annotation Hits

0
References

38
Patents

353.83426 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.84154 179.1
[M+Na]+ 376.82348 190.2
[M-H]- 352.82698 177.1
[M+NH4]+ 371.86808 200.7
[M+K]+ 392.79742 184.6
[M+H-H2O]+ 336.83152 179.1
[M+HCOO]- 398.83246 169.0
[M+CH3COO]- 412.84811 186.4
[M+Na-2H]- 374.80893 176.2
[M]+ 353.83371 177.1
[M]- 353.83481 177.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.