CID 111373

Bis(diethylene glycol) chlorendate

Structural Information

Molecular Formula
C17H20Cl6O8
SMILES
C(COCCOC(=O)C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)OCCOCCO)O
InChI
InChI=1S/C17H20Cl6O8/c18-11-12(19)16(21)10(14(27)31-8-6-29-4-2-25)9(15(11,20)17(16,22)23)13(26)30-7-5-28-3-1-24/h9-10,24-25H,1-8H2
InChIKey
KLOLGGOJHRWANR-UHFFFAOYSA-N
Compound name
bis[2-(2-hydroxyethoxy)ethyl] 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

561.92896 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 562.93624 198.8
[M+Na]+ 584.91818 204.7
[M+NH4]+ 579.96278 204.2
[M+K]+ 600.89212 198.9
[M-H]- 560.92168 193.6
[M+Na-2H]- 582.90363 198.7
[M]+ 561.92841 199.2
[M]- 561.92951 199.2
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