CID 29091

Eosin bluish

Structural Information

Molecular Formula
C20H8Br2N2O9
SMILES
C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)[N+](=O)[O-])O)Br)Br)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C20H8Br2N2O9/c21-14-16(25)11(23(29)30)5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(24(31)32)17(26)15(22)19(10)33-18(9)14/h1-6,25H,(H,27,28)
InChIKey
YDIYPOHFEIEJPE-UHFFFAOYSA-N
Compound name
2-(4,5-dibromo-3-hydroxy-2,7-dinitro-6-oxoxanthen-9-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

71
Patents

577.8597 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.86698 209.8
[M+Na]+ 600.84892 205.7
[M+NH4]+ 595.89352 209.2
[M+K]+ 616.82286 214.4
[M-H]- 576.85242 212.4
[M+Na-2H]- 598.83437 207.3
[M]+ 577.85915 208.9
[M]- 577.86025 208.9
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