CID 14534553

2',4',5'-tribromofluorescein

Structural Information

Molecular Formula
C20H9Br3O5
SMILES
C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)Br)OC5=C(C(=C(C=C35)Br)O)Br
InChI
InChI=1S/C20H9Br3O5/c21-12-7-11-18(15(23)16(12)25)27-17-10(5-6-13(24)14(17)22)20(11)9-4-2-1-3-8(9)19(26)28-20/h1-7,24-25H
InChIKey
YKZJCSJCUCCADE-UHFFFAOYSA-N
Compound name
2',4',5'-tribromo-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

565.8 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.80728 181.7
[M+Na]+ 588.78922 188.5
[M-H]- 564.79272 189.0
[M+NH4]+ 583.83382 193.1
[M+K]+ 604.76316 178.1
[M+H-H2O]+ 548.79726 196.5
[M+HCOO]- 610.79820 186.3
[M+CH3COO]- 624.81385 190.2
[M+Na-2H]- 586.77467 184.4
[M]+ 565.79945 223.6
[M]- 565.80055 223.6
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