CID 117608

2',7'-dibromofluorescein

Structural Information

Molecular Formula
C20H10Br2O5
SMILES
C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C=C4OC5=CC(=C(C=C35)Br)O)O)Br
InChI
InChI=1S/C20H10Br2O5/c21-13-5-11-17(7-15(13)23)26-18-8-16(24)14(22)6-12(18)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H
InChIKey
YNBZQSXWRWAXMV-UHFFFAOYSA-N
Compound name
2',7'-dibromo-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

311
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

literature stripe

Patent stripe

patents stripe