CID 118190

34832-88-7

Structural Information

Molecular Formula
C24H34Cl4O4
SMILES
CCCCC(CC)COC(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)OCC(CC)CCCC
InChI
InChI=1S/C24H34Cl4O4/c1-5-9-11-15(7-3)13-31-23(29)17-18(20(26)22(28)21(27)19(17)25)24(30)32-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3
InChIKey
BELGUQVGZMFEAQ-UHFFFAOYSA-N
Compound name
bis(2-ethylhexyl) 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

526.1211 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.12838 218.5
[M+Na]+ 549.11032 229.3
[M+NH4]+ 544.15492 222.8
[M+K]+ 565.08426 221.4
[M-H]- 525.11382 217.4
[M+Na-2H]- 547.09577 218.7
[M]+ 526.12055 220.7
[M]- 526.12165 220.7
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