CID 5272051

Ethyl hydrogen nonylphosphonate

Structural Information

Molecular Formula

C₁₁H₂₅O₃P

SMILES

CCCCCCCCCP(=O)(O)OCC

InChI

InChI=1S/C11H25O3P/c1-3-5-6-7-8-9-10-11-15(12,13)14-4-2/h3-11H2,1-2H3,(H,12,13)

InChIKey

PFVNHXWRBWAWON-UHFFFAOYSA-N

Compound name

ethoxy(nonyl)phosphinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4
Patents: 236.15413 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

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]+	237.16141	163.3
[M+Na]+	259.14335	168.3
[M-H]-	235.14685	160.2
[M+NH4]+	254.18795	181.3
[M+K]+	275.11729	166.7
[M+H-H2O]+	219.15139	156.0
[M+HCOO]-	281.15233	188.4
[M+CH3COO]-	295.16798	192.1
[M+Na-2H]-	257.12880	164.2
[M]+	236.15358	169.5
[M]-	236.15468	169.5

Literature stripe

literature stripe

Patent stripe

patents stripe