CID 20703

Db 134

Structural Information

Molecular Formula
C11H6I2O3
SMILES
C1=COC=C1C(=O)C2=CC(=C(C(=C2)I)O)I
InChI
InChI=1S/C11H6I2O3/c12-8-3-7(4-9(13)11(8)15)10(14)6-1-2-16-5-6/h1-5,15H
InChIKey
DSMAKSBPYQIPQF-UHFFFAOYSA-N
Compound name
furan-3-yl-(4-hydroxy-3,5-diiodophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.84064 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.84792 165.9
[M+Na]+ 462.82986 160.3
[M-H]- 438.83336 159.8
[M+NH4]+ 457.87446 173.1
[M+K]+ 478.80380 169.9
[M+H-H2O]+ 422.83790 154.0
[M+HCOO]- 484.83884 176.9
[M+CH3COO]- 498.85449 207.5
[M+Na-2H]- 460.81531 151.2
[M]+ 439.84009 162.2
[M]- 439.84119 162.2
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.