CID 6335659

Phosphonic acid, isodecyl phenyl ester

Structural Information

Molecular Formula

C₁₆H₂₆O₃P

SMILES

CC(C)CCCCCCCO[P+](=O)OC1=CC=CC=C1

InChI

InChI=1S/C16H26O3P/c1-15(2)11-7-4-3-5-10-14-18-20(17)19-16-12-8-6-9-13-16/h6,8-9,12-13,15H,3-5,7,10-11,14H2,1-2H3/q+1

InChIKey

UTHJXPXXTSTCSJ-UHFFFAOYSA-N

Compound name

8-methylnonoxy-oxo-phenoxyphosphanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 297.16196 Da
Monoisotopic Mass: 5.7
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]+	298.169236	179.1
[M+Na]+	320.151178	182.6
[M-H]-	296.154684	180.5
[M+NH4]+	315.195783	194.4
[M+K]+	336.125118	175.2
[M+H-H2O]+	280.159220	172.1
[M+HCOO]-	342.160161	204.9
[M+CH3COO]-	356.175811	199.3
[M+Na-2H]-	318.136626	179.4
[M]+	297.16141142	184.0
[M]-	297.16250858	184.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe