CID 1924456

33512-26-4

Structural Information

Molecular Formula

C₁₃H₁₆NO₅P

SMILES

CCOP(=O)(CN1C(=O)C2=CC=CC=C2C1=O)OCC

InChI

InChI=1S/C13H16NO5P/c1-3-18-20(17,19-4-2)9-14-12(15)10-7-5-6-8-11(10)13(14)16/h5-8H,3-4,9H2,1-2H3

InChIKey

IUZMHUAHKBHJFY-UHFFFAOYSA-N

Compound name

2-(diethoxyphosphorylmethyl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 297.0766 Da
Monoisotopic Mass: 1.6
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]+	298.08388	164.9
[M+Na]+	320.06582	174.3
[M+NH4]+	315.11042	170.0
[M+K]+	336.03976	172.1
[M-H]-	296.06932	163.1
[M+Na-2H]-	318.05127	166.6
[M]+	297.07605	165.3
[M]-	297.07715	165.3

Literature stripe

literature stripe

Patent stripe

patents stripe