CID 452704

Eosin b diphenol

Structural Information

Molecular Formula
C20H8Br2N2O9
SMILES
C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)[N+](=O)[O-])O)Br)Br)O)[N+](=O)[O-]
InChI
InChI=1S/C20H8Br2N2O9/c21-13-15(25)11(23(28)29)5-9-17(13)32-18-10(6-12(24(30)31)16(26)14(18)22)20(9)8-4-2-1-3-7(8)19(27)33-20/h1-6,25-26H
InChIKey
ZBQZBWKNGDEDOA-UHFFFAOYSA-N
Compound name
4',5'-dibromo-3',6'-dihydroxy-2',7'-dinitrospiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

126
References

4316
Patents

577.8597 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.86698 221.1
[M+Na]+ 600.84892 215.9
[M+NH4]+ 595.89352 221.7
[M+K]+ 616.82286 224.1
[M-H]- 576.85242 224.0
[M+Na-2H]- 598.83437 216.9
[M]+ 577.85915 220.3
[M]- 577.86025 220.3
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