CID 3035224

2,8-dihydromirex

Structural Information

Molecular Formula
C10H2Cl10
SMILES
C12C3(C4(C5C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C10H2Cl10/c11-3-1-5(13)4(12)2(7(3,15)9(5,17)18)8(3,16)10(19,20)6(1,4)14/h1-2H
InChIKey
DBAOHFBTAATJBT-UHFFFAOYSA-N
Compound name
1,2,4,5,5,6,8,9,10,10-decachloropentacyclo[5.3.0.02,6.03,9.04,8]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

471.70416 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.711436 196.4
[M+Na]+ 494.693378 202.0
[M-H]- 470.696884 188.3
[M+NH4]+ 489.737983 205.9
[M+K]+ 510.667318 197.7
[M+H-H2O]+ 454.701420 194.7
[M+HCOO]- 516.702361 177.4
[M+CH3COO]- 530.718011 195.0
[M+Na-2H]- 492.678826 189.8
[M]+ 471.70361142 194.3
[M]- 471.70470858 194.3
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

No patent data available for this compound.