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]+ 340.862256 169.9
[M+Na]+ 362.844198 180.6
[M-H]- 338.847704 165.6
[M+NH4]+ 357.888803 190.7
[M+K]+ 378.818138 173.4
[M+H-H2O]+ 322.852240 170.8
[M+HCOO]- 384.853181 160.3
[M+CH3COO]- 398.868831 177.1
[M+Na-2H]- 360.829646 167.4
[M]+ 339.85443142 166.3
[M]- 339.85552858 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.