CID 44151145

93951-25-8

Structural Information

Molecular Formula
C15H16Cl6O4
SMILES
C1C(O1)COCC2(CC3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)COCC4CO4
InChI
InChI=1S/C15H16Cl6O4/c16-10-11(17)14(19)12(6-22-1-8-3-24-8,7-23-2-9-4-25-9)5-13(10,18)15(14,20)21/h8-9H,1-7H2
InChIKey
LQTQDWMOFMCUMR-UHFFFAOYSA-N
Compound name
2-[[1,4,5,6,7,7-hexachloro-2-(oxiran-2-ylmethoxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methoxymethyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.91797 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.925246 176.5
[M+Na]+ 492.907188 181.0
[M-H]- 468.910694 177.4
[M+NH4]+ 487.951793 182.2
[M+K]+ 508.881128 183.0
[M+H-H2O]+ 452.915230 176.3
[M+HCOO]- 514.916171 163.7
[M+CH3COO]- 528.931821 180.3
[M+Na-2H]- 490.892636 174.8
[M]+ 469.91742142 182.1
[M]- 469.91851858 182.1
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.