CID 117291

26040-51-7

Structural Information

Molecular Formula
C24H34Br4O4
SMILES
CCCCC(CC)COC(=O)C1=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)OCC(CC)CCCC
InChI
InChI=1S/C24H34Br4O4/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
UUEDINPOVKWVAZ-UHFFFAOYSA-N
Compound name
bis(2-ethylhexyl) 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

43
References

509
Patents

701.91907 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 702.92635 191.6
[M+Na]+ 724.90829 195.1
[M-H]- 700.91179 194.5
[M+NH4]+ 719.95289 197.8
[M+K]+ 740.88223 181.2
[M+H-H2O]+ 684.91633 207.1
[M+HCOO]- 746.91727 193.8
[M+CH3COO]- 760.93292 253.1
[M+Na-2H]- 722.89374 187.6
[M]+ 701.91852 231.5
[M]- 701.91962 231.5
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

No patent data available for this compound.