CID 81309

Decylphosphonic acid

Structural Information

Molecular Formula

C₁₀H₂₃O₃P

SMILES

CCCCCCCCCCP(=O)(O)O

InChI

InChI=1S/C10H23O3P/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3,(H2,11,12,13)

InChIKey

DZQISOJKASMITI-UHFFFAOYSA-N

Compound name

decylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 9270
Patents: 222.13849 Da
Monoisotopic Mass: 2.9
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	159.7
[M+Na]+	245.12771	164.6
[M-H]-	221.13121	155.3
[M+NH4]+	240.17231	177.4
[M+K]+	261.10165	162.4
[M+H-H2O]+	205.13575	152.7
[M+HCOO]-	267.13669	183.5
[M+CH3COO]-	281.15234	186.4
[M+Na-2H]-	243.11316	160.5
[M]+	222.13794	163.5
[M]-	222.13904	163.5

Literature stripe

literature stripe

Patent stripe

patents stripe