CID 3047200

Diethylphosphinic acid phenyl ester

Structural Information

Molecular Formula

C₁₀H₁₅O₂P

SMILES

CCP(=O)(CC)OC1=CC=CC=C1

InChI

InChI=1S/C10H15O2P/c1-3-13(11,4-2)12-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3

InChIKey

ZWAWVIDZQLHHEL-UHFFFAOYSA-N

Compound name

diethylphosphoryloxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 155
Patents: 198.08096 Da
Monoisotopic Mass: 2.0
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]+	199.08824	145.9
[M+Na]+	221.07018	153.0
[M-H]-	197.07368	148.2
[M+NH4]+	216.11478	165.8
[M+K]+	237.04412	151.6
[M+H-H2O]+	181.07822	138.0
[M+HCOO]-	243.07916	174.3
[M+CH3COO]-	257.09481	184.9
[M+Na-2H]-	219.05563	150.2
[M]+	198.08041	149.3
[M]-	198.08151	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe