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
1
Annotation Hits

0
References

32
Patents

467.87195 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.87923 170.7
[M+Na]+ 490.86117 165.9
[M-H]- 466.86467 165.1
[M+NH4]+ 485.90577 177.6
[M+K]+ 506.83511 175.3
[M+H-H2O]+ 450.86921 159.0
[M+HCOO]- 512.87015 181.2
[M+CH3COO]- 526.88580 214.2
[M+Na-2H]- 488.84662 154.4
[M]+ 467.87140 168.3
[M]- 467.87250 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