CID 109585

Potassium ethyl octylphosphonate

Structural Information

Molecular Formula

C₁₀H₂₃O₃P

SMILES

CCCCCCCCP(=O)(O)OCC

InChI

InChI=1S/C10H23O3P/c1-3-5-6-7-8-9-10-14(11,12)13-4-2/h3-10H2,1-2H3,(H,11,12)

InChIKey

IMCARZNNWXRLAN-UHFFFAOYSA-N

Compound name

ethoxy(octyl)phosphinic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 67
Patents: 222.13849 Da
Monoisotopic Mass: 2.7
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]+	223.14577	158.6
[M+Na]+	245.12771	164.0
[M-H]-	221.13121	155.7
[M+NH4]+	240.17231	177.1
[M+K]+	261.10165	162.7
[M+H-H2O]+	205.13575	151.5
[M+HCOO]-	267.13669	184.0
[M+CH3COO]-	281.15234	189.1
[M+Na-2H]-	243.11316	160.0
[M]+	222.13794	164.4
[M]-	222.13904	164.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe