PubChemLite - Naphthofluorescein (C28H16O5)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C(=O)OC23C4=C(C5=C(C=C4)C=C(C=C5)O)OC6=C3C=CC7=C6C=CC(=C7)O

InChI

InChI=1S/C28H16O5/c29-17-7-9-19-15(13-17)5-11-23-25(19)32-26-20-10-8-18(30)14-16(20)6-12-24(26)28(23)22-4-2-1-3-21(22)27(31)33-28/h1-14,29-30H

InChIKey

IXQIUDNVFVTQLJ-UHFFFAOYSA-N

Compound name

7',19'-dihydroxyspiro[2-benzofuran-3,13'-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene]-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]+	433.10704	203.2
[M+Na]+	455.08898	222.7
[M+NH4]+	450.13358	214.7
[M+K]+	471.06292	212.5
[M-H]-	431.09248	212.5
[M+Na-2H]-	453.07443	208.8
[M]+	432.09921	209.4
[M]-	432.10031	209.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

433.10704

203.2

[M+Na]+

455.08898

222.7

[M+NH4]+

450.13358

214.7

[M+K]+

471.06292

212.5

[M-H]-

431.09248

212.5

[M+Na-2H]-

453.07443

208.8

[M]+

432.09921

209.4

[M]-

432.10031

209.4

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

Naphthofluorescein

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe