CID 120890

Endosulfan hydroxyether

Structural Information

Molecular Formula
C9H6Cl6O2
SMILES
C1C2C(C(O1)O)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C9H6Cl6O2/c10-4-5(11)8(13)3-2(1-17-6(3)16)7(4,12)9(8,14)15/h2-3,6,16H,1H2
InChIKey
OHANHNSPGZXJBU-UHFFFAOYSA-N
Compound name
1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

355.84988 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.85716 177.6
[M+Na]+ 378.83910 188.3
[M-H]- 354.84260 174.6
[M+NH4]+ 373.88370 198.8
[M+K]+ 394.81304 182.5
[M+H-H2O]+ 338.84714 178.2
[M+HCOO]- 400.84808 166.4
[M+CH3COO]- 414.86373 184.6
[M+Na-2H]- 376.82455 174.8
[M]+ 355.84933 175.0
[M]- 355.85043 175.0
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.