CID 99439

Dibutyl decylphosphonate

Structural Information

Molecular Formula

C₁₈H₃₉O₃P

SMILES

CCCCCCCCCCP(=O)(OCCCC)OCCCC

InChI

InChI=1S/C18H39O3P/c1-4-7-10-11-12-13-14-15-18-22(19,20-16-8-5-2)21-17-9-6-3/h4-18H2,1-3H3

InChIKey

MBCXIKUNYKOIOD-UHFFFAOYSA-N

Compound name

1-dibutoxyphosphoryldecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 334.26367 Da
Monoisotopic Mass: 6.5
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	195.2
[M+Na]+	357.25289	197.7
[M-H]-	333.25639	192.2
[M+NH4]+	352.29749	209.9
[M+K]+	373.22683	195.2
[M+H-H2O]+	317.26093	186.2
[M+HCOO]-	379.26187	219.5
[M+CH3COO]-	393.27752	215.8
[M+Na-2H]-	355.23834	193.0
[M]+	334.26312	206.0
[M]-	334.26422	206.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe