CID 85865993

1,1,1,3,6,7,10,11-octachloroundecane

Structural Information

Molecular Formula
C11H16Cl8
SMILES
C(CC(C(CCC(CCl)Cl)Cl)Cl)C(CC(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C11H16Cl8/c12-6-8(14)2-4-10(16)9(15)3-1-7(13)5-11(17,18)19/h7-10H,1-6H2
InChIKey
FLSNQDQVDFQSOG-UHFFFAOYSA-N
Compound name
1,1,1,3,6,7,10,11-octachloroundecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.876 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.883276 197.1
[M+Na]+ 450.865218 197.4
[M-H]- 426.868724 186.0
[M+NH4]+ 445.909823 203.3
[M+K]+ 466.839158 194.8
[M+H-H2O]+ 410.873260 194.9
[M+HCOO]- 472.874201 175.5
[M+CH3COO]- 486.889851 226.8
[M+Na-2H]- 448.850666 186.7
[M]+ 427.87545142 187.3
[M]- 427.87654858 187.3
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.