CID 3033585

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

Structural Information

Molecular Formula
C8H10I2O4
SMILES
CC(=O)OC/C(=C(/COC(=O)C)\I)/I
InChI
InChI=1S/C8H10I2O4/c1-5(11)13-3-7(9)8(10)4-14-6(2)12/h3-4H2,1-2H3/b8-7+
InChIKey
FAQDVSANHUPJQT-BQYQJAHWSA-N
Compound name
[(E)-4-acetyloxy-2,3-diiodobut-2-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.86685 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.87413 157.1
[M+Na]+ 446.85607 149.0
[M-H]- 422.85957 146.5
[M+NH4]+ 441.90067 165.1
[M+K]+ 462.83001 160.8
[M+H-H2O]+ 406.86411 146.3
[M+HCOO]- 468.86505 166.5
[M+CH3COO]- 482.88070 207.4
[M+Na-2H]- 444.84152 140.4
[M]+ 423.86630 155.1
[M]- 423.86740 155.1
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.