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 189.8
[M+Na]+ 510.87872 200.8
[M-H]- 486.88222 199.6
[M+NH4]+ 505.92332 205.0
[M+K]+ 526.85266 189.2
[M+H-H2O]+ 470.88676 197.8
[M+HCOO]- 532.88770 198.5
[M+CH3COO]- 546.90335 201.1
[M+Na-2H]- 508.86417 194.6
[M]+ 487.88895 225.5
[M]- 487.89005 225.5
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.