PubChemLite - 66197-78-2 (C33H61O13P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCC1=CC=CC=C1OCCOCCOCCOCCOCCOCCOCCOCCOCCOP(=O)(O)O

InChI

InChI=1S/C33H61O13P/c1-2-3-4-5-6-7-8-11-32-12-9-10-13-33(32)45-30-28-43-26-24-41-22-20-39-18-16-37-14-15-38-17-19-40-21-23-42-25-27-44-29-31-46-47(34,35)36/h9-10,12-13H,2-8,11,14-31H2,1H3,(H2,34,35,36)

InChIKey

FVWKLGOINOMUFC-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonylphenoxy)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]+	697.39223	259.8
[M+Na]+	719.37417	258.4
[M-H]-	695.37767	249.0
[M+NH4]+	714.41877	262.6
[M+K]+	735.34811	254.2
[M+H-H2O]+	679.38221	251.3
[M+HCOO]-	741.38315	273.7
[M+CH3COO]-	755.39880	269.4
[M+Na-2H]-	717.35962	238.0
[M]+	696.38440	260.3
[M]-	696.38550	260.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

697.39223

259.8

[M+Na]+

719.37417

258.4

[M-H]-

695.37767

249.0

[M+NH4]+

714.41877

262.6

[M+K]+

735.34811

254.2

[M+H-H2O]+

679.38221

251.3

[M+HCOO]-

741.38315

273.7

[M+CH3COO]-

755.39880

269.4

[M+Na-2H]-

717.35962

238.0

[M]+

696.38440

260.3

[M]-

696.38550

260.3

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

66197-78-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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