CID 3346715

Phosphonic acid, 1-pyrrolidinyl-, diphenyl ester

Structural Information

Molecular Formula

C₁₆H₁₈NO₃P

SMILES

C1CCN(C1)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C16H18NO3P/c18-21(17-13-7-8-14-17,19-15-9-3-1-4-10-15)20-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2

InChIKey

DSQBKNOVOLZUNZ-UHFFFAOYSA-N

Compound name

1-diphenoxyphosphorylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 303.10242 Da
Monoisotopic Mass: 3.8
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]+	304.109696	169.3
[M+Na]+	326.091638	173.4
[M-H]-	302.095144	175.5
[M+NH4]+	321.136243	183.8
[M+K]+	342.065578	170.7
[M+H-H2O]+	286.099680	157.7
[M+HCOO]-	348.100621	194.9
[M+CH3COO]-	362.116271	199.8
[M+Na-2H]-	324.077086	170.6
[M]+	303.10187142	168.4
[M]-	303.10296858	168.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe