CID 6447331

Bis(2,3-diiodo-2-propenyl)-3,6-endoxohexahydrophthalate

Structural Information

Molecular Formula
C14H14I4O5
SMILES
C1C2OC(C1)C(C2C(=O)OC/C(=C/I)/I)C(=O)OC/C(=C/I)/I
InChI
InChI=1S/C14H14I4O5/c15-3-7(17)5-21-13(19)11-9-1-2-10(23-9)12(11)14(20)22-6-8(18)4-16/h3-4,9-12H,1-2,5-6H2/b7-3-,8-4-
InChIKey
LRYQQECYHNCOGX-VHOZIDCHSA-N
Compound name
bis[(Z)-2,3-diiodoprop-2-enyl] 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

769.702 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 770.70928 172.9
[M+Na]+ 792.69122 158.0
[M-H]- 768.69472 165.3
[M+NH4]+ 787.73582 172.1
[M+K]+ 808.66516 172.6
[M+H-H2O]+ 752.69926 163.6
[M+HCOO]- 814.70020 171.5
[M+CH3COO]- 828.71585 243.4
[M+Na-2H]- 790.67667 154.9
[M]+ 769.70145 168.4
[M]- 769.70255 168.4
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

No patent data available for this compound.