CID 13946

Chlordecone alcohol

Structural Information

Molecular Formula
C10H2Cl10O
SMILES
C1(C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)O
InChI
InChI=1S/C10H2Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20/h1,21H
InChIKey
MBEIHNKADVMCJM-UHFFFAOYSA-N
Compound name
1,2,3,4,6,7,8,9,10,10-decachloropentacyclo[5.3.0.02,6.03,9.04,8]decan-5-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

12
Patents

487.6991 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.70638 176.3
[M+Na]+ 510.68832 178.3
[M+NH4]+ 505.73292 180.5
[M+K]+ 526.66226 173.0
[M-H]- 486.69182 172.4
[M+Na-2H]- 508.67377 176.0
[M]+ 487.69855 176.0
[M]- 487.69965 176.0
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