CID 78452

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

4
Annotation Hits: 11
References: 7164
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]+	195.114456	150.3
[M+Na]+	217.096398	156.0
[M-H]-	193.099904	146.2
[M+NH4]+	212.141003	169.2
[M+K]+	233.070338	154.3
[M+H-H2O]+	177.104440	143.7
[M+HCOO]-	239.105381	174.8
[M+CH3COO]-	253.121031	180.3
[M+Na-2H]-	215.081846	152.2
[M]+	194.10663142	153.3
[M]-	194.10772858	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe