PubChemLite - Fluorescein mercuriacetate (C24H16Hg2O9)

Structural Information

Molecular Formula

SMILES

CC(=O)O[Hg]C1=C(C=CC2=C1OC3=C(C24C5=CC=CC=C5C(=O)O4)C=CC(=C3[Hg]OC(=O)C)O)O

InChI

InChI=1S/C20H10O5.2C2H4O2.2Hg/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;2*1-2(3)4;;/h1-8,21-22H;2*1H3,(H,3,4);;/q;;;2*+1/p-2

InChIKey

QSZMOZPZBXFCDN-UHFFFAOYSA-L

Compound name

acetyloxy-[5'-(acetyloxymercurio)-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-yl]mercury

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]+	853.02798	265.6
[M+Na]+	875.00992	276.1
[M+NH4]+	870.05452	270.0
[M+K]+	890.98386	268.8
[M-H]-	851.01342	268.5
[M+Na-2H]-	872.99537	262.4
[M]+	852.02015	267.7
[M]-	852.02125	267.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

853.02798

265.6

[M+Na]+

875.00992

276.1

[M+NH4]+

870.05452

270.0

[M+K]+

890.98386

268.8

[M-H]-

851.01342

268.5

[M+Na-2H]-

872.99537

262.4

[M]+

852.02015

267.7

[M]-

852.02125

267.7

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

Fluorescein mercuriacetate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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