CID 71358181

1,1,1,2,2,3,3,4,4-nonachloroundecane

Structural Information

Molecular Formula
C11H15Cl9
SMILES
CCCCCCCC(C(C(C(Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl
InChI
InChI=1S/C11H15Cl9/c1-2-3-4-5-6-7-8(12,13)9(14,15)10(16,17)11(18,19)20/h2-7H2,1H3
InChIKey
UHGDVTKWTLCBDN-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonachloroundecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.83704 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.844316 222.3
[M+Na]+ 484.826258 221.6
[M-H]- 460.829764 209.9
[M+NH4]+ 479.870863 225.7
[M+K]+ 500.800198 220.3
[M+H-H2O]+ 444.834300 217.7
[M+HCOO]- 506.835241 196.1
[M+CH3COO]- 520.850891 230.8
[M+Na-2H]- 482.811706 212.4
[M]+ 461.83649142 208.2
[M]- 461.83758858 208.2
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.