CID 78452

N-octylphosphonic acid

Structural Information

Molecular Formula

C₈H₁₉O₃P

SMILES

CCCCCCCCP(=O)(O)O

InChI

InChI=1S/C8H19O3P/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3,(H2,9,10,11)

InChIKey

NJGCRMAPOWGWMW-UHFFFAOYSA-N

Compound name

octylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 11
References: 7818
Patents: 194.10718 Da
Monoisotopic Mass: 1.8
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]+	195.11446	150.3
[M+Na]+	217.09640	156.0
[M-H]-	193.09990	146.2
[M+NH4]+	212.14100	169.2
[M+K]+	233.07034	154.3
[M+H-H2O]+	177.10444	143.7
[M+HCOO]-	239.10538	174.8
[M+CH3COO]-	253.12103	180.3
[M+Na-2H]-	215.08185	152.2
[M]+	194.10663	153.3
[M]-	194.10773	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe