CID 299

Chlordecone

Structural Information

Molecular Formula
C10Cl10O
SMILES
C1(=O)C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C10Cl10O/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
InChIKey
LHHGDZSESBACKH-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-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

664
References

7465
Patents

485.68344 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.69072 193.9
[M+Na]+ 508.67266 200.0
[M-H]- 484.67616 186.5
[M+NH4]+ 503.71726 203.9
[M+K]+ 524.64660 195.4
[M+H-H2O]+ 468.68070 193.0
[M+HCOO]- 530.68164 175.9
[M+CH3COO]- 544.69729 192.9
[M+Na-2H]- 506.65811 188.5
[M]+ 485.68289 192.6
[M]- 485.68399 192.6
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