CID 17843951

Nonylphosphonic acid

Structural Information

Molecular Formula

C₉H₂₁O₃P

SMILES

CCCCCCCCCP(=O)(O)O

InChI

InChI=1S/C9H21O3P/c1-2-3-4-5-6-7-8-9-13(10,11)12/h2-9H2,1H3,(H2,10,11,12)

InChIKey

OLGGYSFJQGDOFX-UHFFFAOYSA-N

Compound name

nonylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 30
References: 870
Patents: 208.12283 Da
Monoisotopic Mass: 2.4
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]+	209.13011	155.0
[M+Na]+	231.11205	160.3
[M-H]-	207.11555	150.8
[M+NH4]+	226.15665	173.3
[M+K]+	247.08599	158.3
[M+H-H2O]+	191.12009	148.2
[M+HCOO]-	253.12103	179.2
[M+CH3COO]-	267.13668	183.4
[M+Na-2H]-	229.09750	156.4
[M]+	208.12228	158.4
[M]-	208.12338	158.4

Literature stripe

literature stripe

Patent stripe

patents stripe