CID 95591

4827-55-8

Structural Information

Molecular Formula
C25H36Cl6O4
SMILES
CCCCC(CC)COC(=O)C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)OCC(CC)CCCC
InChI
InChI=1S/C25H36Cl6O4/c1-5-9-11-15(7-3)13-34-21(32)17-18(22(33)35-14-16(8-4)12-10-6-2)24(29)20(27)19(26)23(17,28)25(24,30)31/h15-18H,5-14H2,1-4H3
InChIKey
ONIHOIFWLALAQH-UHFFFAOYSA-N
Compound name
bis(2-ethylhexyl) 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

14
Patents

610.07446 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.08174 221.2
[M+Na]+ 633.06368 227.6
[M+NH4]+ 628.10828 227.5
[M+K]+ 649.03762 219.3
[M-H]- 609.06718 217.5
[M+Na-2H]- 631.04913 220.6
[M]+ 610.07391 222.3
[M]- 610.07501 222.3
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