CID 3835513

13232-65-0

Structural Information

Molecular Formula
C20H10Br2O5
SMILES
C1=CC2=C(C=C1O)OC3=C(C24C5=CC(=C(C=C5C(=O)O4)Br)Br)C=CC(=C3)O
InChI
InChI=1S/C20H10Br2O5/c21-15-7-11-14(8-16(15)22)20(27-19(11)25)12-3-1-9(23)5-17(12)26-18-6-10(24)2-4-13(18)20/h1-8,23-24H
InChIKey
VOKQJLATDGDTGW-UHFFFAOYSA-N
Compound name
5,6-dibromo-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.8895 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.89678 190.7
[M+Na]+ 510.87872 187.1
[M+NH4]+ 505.92332 193.2
[M+K]+ 526.85266 192.3
[M-H]- 486.88222 193.6
[M+Na-2H]- 508.86417 189.7
[M]+ 487.88895 190.3
[M]- 487.89005 190.3
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

No patent data available for this compound.