CID 3033584

2,3-diiodo-2-buten-1,4-diol iodoacetate

Structural Information

Molecular Formula
C8H8I4O4
SMILES
C(/C(=C(/COC(=O)CI)\I)/I)OC(=O)CI
InChI
InChI=1S/C8H8I4O4/c9-1-7(13)15-3-5(11)6(12)4-16-8(14)2-10/h1-4H2/b6-5+
InChIKey
DRYAKXHQXKECDP-AATRIKPKSA-N
Compound name
[(E)-2,3-diiodo-4-(2-iodoacetyl)oxybut-2-enyl] 2-iodoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

675.6601 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 676.66738 182.8
[M+Na]+ 698.64932 169.8
[M+NH4]+ 693.69392 176.1
[M+K]+ 714.62326 175.6
[M-H]- 674.65282 168.8
[M+Na-2H]- 696.63477 166.4
[M]+ 675.65955 174.8
[M]- 675.66065 174.8
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.