CID 89352

20566-35-2

Structural Information

Molecular Formula
C15H16Br4O7
SMILES
CC(COC(=O)C1=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)OCCOCCO)O
InChI
InChI=1S/C15H16Br4O7/c1-7(21)6-26-15(23)9-8(10(16)12(18)13(19)11(9)17)14(22)25-5-4-24-3-2-20/h7,20-21H,2-6H2,1H3
InChIKey
OQHHASWHOGRCRC-UHFFFAOYSA-N
Compound name
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-(2-hydroxypropyl) 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

102
Patents

623.76294 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 624.77022 169.4
[M+Na]+ 646.75216 164.0
[M+NH4]+ 641.79676 169.8
[M+K]+ 662.72610 170.3
[M-H]- 622.75566 170.8
[M+Na-2H]- 644.73761 169.7
[M]+ 623.76239 169.4
[M]- 623.76349 169.4
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