CID 25113374

28213-82-3

Structural Information

Molecular Formula
C22H14I2O5
SMILES
CC1=CC2=C(C(=C1O)I)OC3=C(C24C5=CC=CC=C5C(=O)O4)C=C(C(=C3I)O)C
InChI
InChI=1S/C22H14I2O5/c1-9-7-13-19(15(23)17(9)25)28-20-14(8-10(2)18(26)16(20)24)22(13)12-6-4-3-5-11(12)21(27)29-22/h3-8,25-26H,1-2H3
InChIKey
RPSDBCNTVXHSII-UHFFFAOYSA-N
Compound name
3',6'-dihydroxy-4',5'-diiodo-2',7'-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

611.89307 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 612.90035 196.1
[M+Na]+ 634.88229 193.2
[M-H]- 610.88579 191.1
[M+NH4]+ 629.92689 200.9
[M+K]+ 650.85623 201.3
[M+H-H2O]+ 594.89033 183.2
[M+HCOO]- 656.89127 199.6
[M+CH3COO]- 670.90692 197.9
[M+Na-2H]- 632.86774 182.9
[M]+ 611.89252 194.4
[M]- 611.89362 194.4
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