CID 121232978

1,5,5,6,6,10-hexachlorodecane

Structural Information

Molecular Formula
C10H16Cl6
SMILES
C(CCCl)CC(C(CCCCCl)(Cl)Cl)(Cl)Cl
InChI
InChI=1S/C10H16Cl6/c11-7-3-1-5-9(13,14)10(15,16)6-2-4-8-12/h1-8H2
InChIKey
WFXBVJBVCUQCGH-UHFFFAOYSA-N
Compound name
1,5,5,6,6,10-hexachlorodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

345.93832 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.94560 181.6
[M+Na]+ 368.92754 186.0
[M-H]- 344.93104 174.5
[M+NH4]+ 363.97214 193.5
[M+K]+ 384.90148 180.5
[M+H-H2O]+ 328.93558 179.1
[M+HCOO]- 390.93652 169.7
[M+CH3COO]- 404.95217 212.0
[M+Na-2H]- 366.91299 179.2
[M]+ 345.93777 178.9
[M]- 345.93887 178.9
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