CID 23725106

Endosulfan monoalcohol

Structural Information

Molecular Formula
C9H6Cl6O
SMILES
C=C1C([C@@]2(C(=C([C@]1(C2(Cl)Cl)Cl)Cl)Cl)Cl)CO
InChI
InChI=1S/C9H6Cl6O/c1-3-4(2-16)8(13)6(11)5(10)7(3,12)9(8,14)15/h4,16H,1-2H2/t4?,7-,8+/m1/s1
InChIKey
KYWLDINDZYBWKB-FQLNDHJQSA-N
Compound name
[(1S,4R)-1,4,5,6,7,7-hexachloro-3-methylidene-2-bicyclo[2.2.1]hept-5-enyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.85498 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.86226 169.9
[M+Na]+ 362.84420 180.6
[M-H]- 338.84770 165.6
[M+NH4]+ 357.88880 190.7
[M+K]+ 378.81814 173.4
[M+H-H2O]+ 322.85224 170.8
[M+HCOO]- 384.85318 160.3
[M+CH3COO]- 398.86883 177.1
[M+Na-2H]- 360.82965 167.4
[M]+ 339.85443 166.3
[M]- 339.85553 166.3
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

No patent data available for this compound.