CID 16850

Fluorescein

Structural Information

Molecular Formula

C₂₀H₁₂O₅

SMILES

C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O

InChI

InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10,21-22H

InChIKey

GNBHRKFJIUUOQI-UHFFFAOYSA-N

Compound name

3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 20849
References: 41347
Patents: 332.06848 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	333.075756	172.0
[M+Na]+	355.057698	183.4
[M-H]-	331.061204	180.5
[M+NH4]+	350.102303	189.1
[M+K]+	371.031638	179.8
[M+H-H2O]+	315.065740	165.0
[M+HCOO]-	377.066681	187.3
[M+CH3COO]-	391.082331	184.1
[M+Na-2H]-	353.043146	179.5
[M]+	332.06793142	174.6
[M]-	332.06902858	174.6

Literature stripe

literature stripe

Patent stripe

patents stripe