CID 97768

Endosulfan ether

Structural Information

Molecular Formula
C9H6Cl6O
SMILES
C1C2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C9H6Cl6O/c10-5-6(11)8(13)4-2-16-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2
InChIKey
CKPWHXBGVRURFU-UHFFFAOYSA-N
Compound name
1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

8
References

5
Patents

339.85498 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.86226 178.9
[M+Na]+ 362.84420 189.3
[M-H]- 338.84770 176.4
[M+NH4]+ 357.88880 200.8
[M+K]+ 378.81814 183.5
[M+H-H2O]+ 322.85224 178.1
[M+HCOO]- 384.85318 168.4
[M+CH3COO]- 398.86883 185.9
[M+Na-2H]- 360.82965 175.9
[M]+ 339.85443 175.9
[M]- 339.85553 175.9
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.