PubChemLite - Erythrosin b (C20H8I4O5)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)O)I)I)O)I

InChI

InChI=1S/C20H8I4O5/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20/h1-6,25-26H

InChIKey

OALHHIHQOFIMEF-UHFFFAOYSA-N

Compound name

3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one

Related CIDs

2D Structure

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]+	836.66238	210.2
[M+Na]+	858.64432	199.3
[M+NH4]+	853.68892	204.9
[M+K]+	874.61826	203.3
[M-H]-	834.64782	199.6
[M+Na-2H]-	856.62977	194.2
[M]+	835.65455	203.8
[M]-	835.65565	203.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

836.66238

210.2

[M+Na]+

858.64432

199.3

[M+NH4]+

853.68892

204.9

[M+K]+

874.61826

203.3

[M-H]-

834.64782

199.6

[M+Na-2H]-

856.62977

194.2

[M]+

835.65455

203.8

[M]-

835.65565

203.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Erythrosin b

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe