CID 3046221

Bis(2-hydroxyethyl) 2,3,5,6-tetraiodoterephthalate

Structural Information

Molecular Formula
C12H10I4O6
SMILES
C(COC(=O)C1=C(C(=C(C(=C1I)I)C(=O)OCCO)I)I)O
InChI
InChI=1S/C12H10I4O6/c13-7-5(11(19)21-3-1-17)8(14)10(16)6(9(7)15)12(20)22-4-2-18/h17-18H,1-4H2
InChIKey
RWESPVAXWLHUOB-UHFFFAOYSA-N
Compound name
bis(2-hydroxyethyl) 2,3,5,6-tetraiodobenzene-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

757.6656 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 758.67288 201.2
[M+Na]+ 780.65482 188.5
[M+NH4]+ 775.69942 194.1
[M+K]+ 796.62876 193.7
[M-H]- 756.65832 187.6
[M+Na-2H]- 778.64027 184.1
[M]+ 757.66505 193.4
[M]- 757.66615 193.4
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