CID 76006

Benzyl diethyl phosphite

Structural Information

Molecular Formula

C₁₁H₁₇O₃P

SMILES

CCOP(OCC)OCC1=CC=CC=C1

InChI

InChI=1S/C11H17O3P/c1-3-12-15(13-4-2)14-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3

InChIKey

ATRSPWZERUQFPN-UHFFFAOYSA-N

Compound name

benzyl diethyl phosphite

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 188
Patents: 228.09154 Da
Monoisotopic Mass: 2.3
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]+	229.09882	152.1
[M+Na]+	251.08076	163.1
[M+NH4]+	246.12536	159.6
[M+K]+	267.05470	156.9
[M-H]-	227.08426	153.3
[M+Na-2H]-	249.06621	157.6
[M]+	228.09099	153.8
[M]-	228.09209	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe