PubChemLite - Nonylphenol-14-ethoxylate (C43H80O15)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C43H80O15/c1-2-3-4-5-6-7-8-9-42-10-12-43(13-11-42)58-41-40-57-39-38-56-37-36-55-35-34-54-33-32-53-31-30-52-29-28-51-27-26-50-25-24-49-23-22-48-21-20-47-19-18-46-17-16-45-15-14-44/h10-13,44H,2-9,14-41H2,1H3

InChIKey

FVJPEAADAOKTOQ-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

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]+	837.55702	299.2
[M+Na]+	859.53896	296.8
[M-H]-	835.54246	284.3
[M+NH4]+	854.58356	303.7
[M+K]+	875.51290	296.0
[M+H-H2O]+	819.54700	299.8
[M+HCOO]-	881.54794	308.9
[M+CH3COO]-	895.56359	292.6
[M+Na-2H]-	857.52441	275.4
[M]+	836.54919	302.9
[M]-	836.55029	302.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

837.55702

299.2

[M+Na]+

859.53896

296.8

[M-H]-

835.54246

284.3

[M+NH4]+

854.58356

303.7

[M+K]+

875.51290

296.0

[M+H-H2O]+

819.54700

299.8

[M+HCOO]-

881.54794

308.9

[M+CH3COO]-

895.56359

292.6

[M+Na-2H]-

857.52441

275.4

[M]+

836.54919

302.9

[M]-

836.55029

302.9

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

Nonylphenol-14-ethoxylate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe