CID 6398431

Undecyl-phosphinic acid butyl ester

Structural Information

Molecular Formula

C₁₅H₃₂O₂P

SMILES

CCCCCCCCCCC[P+](=O)OCCCC

InChI

InChI=1S/C15H32O2P/c1-3-5-7-8-9-10-11-12-13-15-18(16)17-14-6-4-2/h3-15H2,1-2H3/q+1

InChIKey

NMCDBKCWJHBQLO-UHFFFAOYSA-N

Compound name

butoxy-oxo-undecylphosphanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 275.214 Da
Monoisotopic Mass: 5.8
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]+	276.22128	178.7
[M+Na]+	298.20322	182.1
[M-H]-	274.20672	176.6
[M+NH4]+	293.24782	195.6
[M+K]+	314.17716	174.6
[M+H-H2O]+	258.21126	173.0
[M+HCOO]-	320.21220	204.1
[M+CH3COO]-	334.22785	198.6
[M+Na-2H]-	296.18867	178.4
[M]+	275.21345	185.5
[M]-	275.21455	185.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe