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

2
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

literature stripe

Patent stripe

patents stripe