CID 687628

5-[(5-iodofuran-2-yl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

Structural Information

Molecular Formula
C11H9IO5
SMILES
CC1(OC(=O)C(=CC2=CC=C(O2)I)C(=O)O1)C
InChI
InChI=1S/C11H9IO5/c1-11(2)16-9(13)7(10(14)17-11)5-6-3-4-8(12)15-6/h3-5H,1-2H3
InChIKey
COVGXCJCQUSUJH-UHFFFAOYSA-N
Compound name
5-[(5-iodofuran-2-yl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

347.94946 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.95674 161.9
[M+Na]+ 370.93868 166.1
[M+NH4]+ 365.98328 165.3
[M+K]+ 386.91262 165.2
[M-H]- 346.94218 160.7
[M+Na-2H]- 368.92413 153.3
[M]+ 347.94891 161.1
[M]- 347.95001 161.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe