CID 44154438

1,1,2,3,4,5,6,11-octachloroundecane

Structural Information

Molecular Formula
C11H16Cl8
SMILES
C(CCC(C(C(C(C(C(Cl)Cl)Cl)Cl)Cl)Cl)Cl)CCCl
InChI
InChI=1S/C11H16Cl8/c12-5-3-1-2-4-6(13)7(14)8(15)9(16)10(17)11(18)19/h6-11H,1-5H2
InChIKey
JGTAEQOCBGXSLC-UHFFFAOYSA-N
Compound name
1,1,2,3,4,5,6,11-octachloroundecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.876 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.883276 191.2
[M+Na]+ 450.865218 191.0
[M-H]- 426.868724 180.0
[M+NH4]+ 445.909823 197.3
[M+K]+ 466.839158 188.8
[M+H-H2O]+ 410.873260 189.6
[M+HCOO]- 472.874201 169.9
[M+CH3COO]- 486.889851 228.1
[M+Na-2H]- 448.850666 179.4
[M]+ 427.87545142 181.6
[M]- 427.87654858 181.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.