CID 20785

Furidarone

Structural Information

Molecular Formula
C13H10I2O3
SMILES
CC1=CC(=C(O1)C)C(=O)C2=CC(=C(C(=C2)I)O)I
InChI
InChI=1S/C13H10I2O3/c1-6-3-9(7(2)18-6)12(16)8-4-10(14)13(17)11(15)5-8/h3-5,17H,1-2H3
InChIKey
JCKOFFJWBOVAAV-UHFFFAOYSA-N
Compound name
(2,5-dimethylfuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

59
Patents

467.87195 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.879226 170.7
[M+Na]+ 490.861168 165.9
[M-H]- 466.864674 165.1
[M+NH4]+ 485.905773 177.6
[M+K]+ 506.835108 175.3
[M+H-H2O]+ 450.869210 159.0
[M+HCOO]- 512.870151 181.2
[M+CH3COO]- 526.885801 214.2
[M+Na-2H]- 488.846616 154.4
[M]+ 467.87140142 168.3
[M]- 467.87249858 168.3
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