PubChemLite - Fluorescein dilaurate (C44H56O7)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)CCCCCCCCCCC)C5=CC=CC=C5C(=O)O3

InChI

InChI=1S/C44H56O7/c1-3-5-7-9-11-13-15-17-19-25-41(45)48-33-27-29-37-39(31-33)50-40-32-34(49-42(46)26-20-18-16-14-12-10-8-6-4-2)28-30-38(40)44(37)36-24-22-21-23-35(36)43(47)51-44/h21-24,27-32H,3-20,25-26H2,1-2H3

InChIKey

MYTRGBGGRICZGN-UHFFFAOYSA-N

Compound name

(6'-dodecanoyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) dodecanoate

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]+	697.40988	281.6
[M+Na]+	719.39182	291.5
[M+NH4]+	714.43642	286.4
[M+K]+	735.36576	280.9
[M-H]-	695.39532	286.4
[M+Na-2H]-	717.37727	280.2
[M]+	696.40205	284.5
[M]-	696.40315	284.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

697.40988

281.6

[M+Na]+

719.39182

291.5

[M+NH4]+

714.43642

286.4

[M+K]+

735.36576

280.9

[M-H]-

695.39532

286.4

[M+Na-2H]-

717.37727

280.2

[M]+

696.40205

284.5

[M]-

696.40315

284.5

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

Fluorescein dilaurate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe