CID 78451

Octadecylphosphonic acid

Structural Information

Molecular Formula

C₁₈H₃₉O₃P

SMILES

CCCCCCCCCCCCCCCCCCP(=O)(O)O

InChI

InChI=1S/C18H39O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3,(H2,19,20,21)

InChIKey

FTMKAMVLFVRZQX-UHFFFAOYSA-N

Compound name

octadecylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 46
References: 7290
Patents: 334.26367 Da
Monoisotopic Mass: 7.2
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]+	335.27095	196.6
[M+Na]+	357.25289	198.1
[M-H]-	333.25639	190.6
[M+NH4]+	352.29749	209.8
[M+K]+	373.22683	193.9
[M+H-H2O]+	317.26093	188.0
[M+HCOO]-	379.26187	217.7
[M+CH3COO]-	393.27752	210.5
[M+Na-2H]-	355.23834	193.3
[M]+	334.26312	203.4
[M]-	334.26422	203.4

Literature stripe

literature stripe

Patent stripe

patents stripe