CID 119799

28031-44-9

Structural Information

Molecular Formula
C20H18Cl8O6
SMILES
C(COCCOC1=C(C(=C(C(=C1Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)OCCOCCO)Cl)Cl)Cl)Cl)O
InChI
InChI=1S/C20H18Cl8O6/c21-11-9(12(22)16(26)19(15(11)25)33-7-5-31-3-1-29)10-13(23)17(27)20(18(28)14(10)24)34-8-6-32-4-2-30/h29-30H,1-8H2
InChIKey
JCAKQWYCRZDXTP-UHFFFAOYSA-N
Compound name
2-[2-[2,3,5,6-tetrachloro-4-[2,3,5,6-tetrachloro-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

633.86115 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 634.86843 219.0
[M+Na]+ 656.85037 223.5
[M-H]- 632.85387 211.9
[M+NH4]+ 651.89497 220.3
[M+K]+ 672.82431 223.5
[M+H-H2O]+ 616.85841 216.1
[M+HCOO]- 678.85935 200.4
[M+CH3COO]- 692.87500 249.0
[M+Na-2H]- 654.83582 207.9
[M]+ 633.86060 218.3
[M]- 633.86170 218.3
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