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

0
Patents

345.93832 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.94560 172.6
[M+Na]+ 368.92754 175.9
[M-H]- 344.93104 165.3
[M+NH4]+ 363.97214 184.3
[M+K]+ 384.90148 171.0
[M+H-H2O]+ 328.93558 171.1
[M+HCOO]- 390.93652 160.8
[M+CH3COO]- 404.95217 213.8
[M+Na-2H]- 366.91299 166.3
[M]+ 345.93777 169.7
[M]- 345.93887 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

literature stripe

Patent stripe

patents stripe