CID 202773

Diethylphosphinic acid benzyl ester

Structural Information

Molecular Formula

C₁₁H₁₇O₂P

SMILES

CCP(=O)(CC)OCC1=CC=CC=C1

InChI

InChI=1S/C11H17O2P/c1-3-14(12,4-2)13-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3

InChIKey

DQBAITHIHYRSFA-UHFFFAOYSA-N

Compound name

diethylphosphoryloxymethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 212.09662 Da
Monoisotopic Mass: 1.7
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]+	213.10390	150.7
[M+Na]+	235.08584	157.5
[M-H]-	211.08934	152.9
[M+NH4]+	230.13044	170.1
[M+K]+	251.05978	155.7
[M+H-H2O]+	195.09388	142.6
[M+HCOO]-	257.09482	178.8
[M+CH3COO]-	271.11047	188.0
[M+Na-2H]-	233.07129	154.5
[M]+	212.09607	154.6
[M]-	212.09717	154.6

Literature stripe

literature stripe

Patent stripe

patents stripe