CID 13940

Endosulfan sulfate

Structural Information

Molecular Formula
C9H6Cl6O4S
SMILES
C1C2C(COS(=O)(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C9H6Cl6O4S/c10-5-6(11)8(13)4-2-19-20(16,17)18-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2
InChIKey
AAPVQEMYVNZIOO-UHFFFAOYSA-N
Compound name
1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda6-thiatricyclo[7.2.1.02,8]dodec-10-ene 5,5-dioxide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

70
References

322
Patents

419.8118 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.81908 166.2
[M+Na]+ 442.80102 174.2
[M+NH4]+ 437.84562 175.4
[M+K]+ 458.77496 166.7
[M-H]- 418.80452 165.7
[M+Na-2H]- 440.78647 169.7
[M]+ 419.81125 168.9
[M]- 419.81235 168.9
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