CID 92311

4',5'-diiodofluorescein

Structural Information

Molecular Formula
C20H10I2O5
SMILES
C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)I)OC5=C3C=CC(=C5I)O
InChI
InChI=1S/C20H10I2O5/c21-15-13(23)7-5-11-17(15)26-18-12(6-8-14(24)16(18)22)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H
InChIKey
DSVUBXQDJGJGIC-UHFFFAOYSA-N
Compound name
3',6'-dihydroxy-4',5'-diiodospiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

6032
Patents

583.86176 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.86904 189.5
[M+Na]+ 606.85098 186.1
[M-H]- 582.85448 184.1
[M+NH4]+ 601.89558 194.8
[M+K]+ 622.82492 194.2
[M+H-H2O]+ 566.85902 176.5
[M+HCOO]- 628.85996 193.7
[M+CH3COO]- 642.87561 191.5
[M+Na-2H]- 604.83643 178.0
[M]+ 583.86121 186.6
[M]- 583.86231 186.6
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