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
2
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 213.0
[M+Na]+ 549.11032 219.0
[M-H]- 525.11382 213.1
[M+NH4]+ 544.15492 221.8
[M+K]+ 565.08426 212.4
[M+H-H2O]+ 509.11836 209.5
[M+HCOO]- 571.11930 210.6
[M+CH3COO]- 585.13495 244.6
[M+Na-2H]- 547.09577 203.7
[M]+ 526.12055 224.4
[M]- 526.12165 224.4
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