CID 11979395

Schembl4977989

Structural Information

Molecular Formula
C20H8I4O5
SMILES
C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4OC5=CC(=C(C(=C35)I)O)I)I)O)I
InChI
InChI=1S/C20H8I4O5/c21-9-5-11-13(15(23)17(9)25)20(8-4-2-1-3-7(8)19(27)29-20)14-12(28-11)6-10(22)18(26)16(14)24/h1-6,25-26H
InChIKey
WZALMIZEUNEOGF-UHFFFAOYSA-N
Compound name
2',7'-dihydroxy-1',3',6',8'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

835.6551 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 836.662376 222.5
[M+Na]+ 858.644318 209.9
[M-H]- 834.647824 215.2
[M+NH4]+ 853.688923 219.6
[M+K]+ 874.618258 222.6
[M+H-H2O]+ 818.652360 209.9
[M+HCOO]- 880.653301 218.2
[M+CH3COO]- 894.668951 216.0
[M+Na-2H]- 856.629766 203.5
[M]+ 835.65455142 216.4
[M]- 835.65564858 216.4
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

patents stripe