CID 71353081

189350-94-5

Structural Information

Molecular Formula
C10H16Cl6
SMILES
C(CC(C(CCC(CCl)Cl)Cl)Cl)C(CCl)Cl
InChI
InChI=1S/C10H16Cl6/c11-5-7(13)1-3-9(15)10(16)4-2-8(14)6-12/h7-10H,1-6H2
InChIKey
SMINNPBPYQGOQK-UHFFFAOYSA-N
Compound name
1,2,5,6,9,10-hexachlorodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

345.93832 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.945596 172.6
[M+Na]+ 368.927538 175.9
[M-H]- 344.931044 165.3
[M+NH4]+ 363.972143 184.3
[M+K]+ 384.901478 171.0
[M+H-H2O]+ 328.935580 171.1
[M+HCOO]- 390.936521 160.8
[M+CH3COO]- 404.952171 213.8
[M+Na-2H]- 366.912986 166.3
[M]+ 345.93777142 169.7
[M]- 345.93886858 169.7
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.