CID 95590

3232-62-0

Structural Information

Molecular Formula
C15H12Cl6O4
SMILES
C=CCOC(=O)C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)OCC=C
InChI
InChI=1S/C15H12Cl6O4/c1-3-5-24-11(22)7-8(12(23)25-6-4-2)14(19)10(17)9(16)13(7,18)15(14,20)21/h3-4,7-8H,1-2,5-6H2
InChIKey
CJKWEXMFQPNNTL-UHFFFAOYSA-N
Compound name
bis(prop-2-enyl) 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1341
Patents

465.8867 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.89398 188.5
[M+Na]+ 488.87592 196.9
[M+NH4]+ 483.92052 195.9
[M+K]+ 504.84986 189.1
[M-H]- 464.87942 185.1
[M+Na-2H]- 486.86137 190.1
[M]+ 465.88615 190.0
[M]- 465.88725 190.0
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