CID 11689

4',5'-dibromofluorescein

Structural Information

Molecular Formula
C20H10Br2O5
SMILES
C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)Br)OC5=C3C=CC(=C5Br)O
InChI
InChI=1S/C20H10Br2O5/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
ZDTNHRWWURISAA-UHFFFAOYSA-N
Compound name
4',5'-dibromo-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

6694
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

literature stripe

Patent stripe

patents stripe