CID 6452090

Einecs 256-312-4

Structural Information

Molecular Formula
C15H16Cl6O4
SMILES
C1C(O1)COCC2C(C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)COCC4CO4
InChI
InChI=1S/C15H16Cl6O4/c16-11-12(17)14(19)10(6-23-2-8-4-25-8)9(5-22-1-7-3-24-7)13(11,18)15(14,20)21/h7-10H,1-6H2
InChIKey
PLSOUCDUZDMQJZ-UHFFFAOYSA-N
Compound name
2-[[1,4,5,6,7,7-hexachloro-3-(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

3
Patents

469.91797 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.925246 179.1
[M+Na]+ 492.907188 183.8
[M-H]- 468.910694 179.8
[M+NH4]+ 487.951793 183.7
[M+K]+ 508.881128 184.7
[M+H-H2O]+ 452.915230 178.2
[M+HCOO]- 514.916171 166.4
[M+CH3COO]- 528.931821 182.7
[M+Na-2H]- 490.892636 176.0
[M]+ 469.91742142 184.6
[M]- 469.91851858 184.6
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

patents stripe