PubChemLite - 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate (C35H65O14P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOP(=O)(O)O

InChI

InChI=1S/C35H65O14P/c1-2-3-4-5-6-7-8-9-34-10-12-35(13-11-34)48-32-30-46-28-26-44-24-22-42-20-18-40-16-14-39-15-17-41-19-21-43-23-25-45-27-29-47-31-33-49-50(36,37)38/h10-13H,2-9,14-33H2,1H3,(H2,36,37,38)

InChIKey

QKBKGDSRBJNQCP-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate

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]+	741.41848	271.6
[M+Na]+	763.40042	269.2
[M-H]-	739.40392	260.6
[M+NH4]+	758.44502	275.0
[M+K]+	779.37436	265.7
[M+H-H2O]+	723.40846	262.9
[M+HCOO]-	785.40940	284.4
[M+CH3COO]-	799.42505	276.3
[M+Na-2H]-	761.38587	248.3
[M]+	740.41065	272.8
[M]-	740.41175	272.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

741.41848

271.6

[M+Na]+

763.40042

269.2

[M-H]-

739.40392

260.6

[M+NH4]+

758.44502

275.0

[M+K]+

779.37436

265.7

[M+H-H2O]+

723.40846

262.9

[M+HCOO]-

785.40940

284.4

[M+CH3COO]-

799.42505

276.3

[M+Na-2H]-

761.38587

248.3

[M]+

740.41065

272.8

[M]-

740.41175

272.8

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

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe