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

2
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

literature stripe

Patent stripe

patents stripe