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

665
References

7628
Patents

485.68344 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.690716 193.9
[M+Na]+ 508.672658 200.0
[M-H]- 484.676164 186.5
[M+NH4]+ 503.717263 203.9
[M+K]+ 524.646598 195.4
[M+H-H2O]+ 468.680700 193.0
[M+HCOO]- 530.681641 175.9
[M+CH3COO]- 544.697291 192.9
[M+Na-2H]- 506.658106 188.5
[M]+ 485.68289142 192.6
[M]- 485.68398858 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