CID 1581370

Dimethyl benzoylphosphoramidate

Structural Information

Molecular Formula

C₉H₁₂NO₄P

SMILES

COP(=O)(NC(=O)C1=CC=CC=C1)OC

InChI

InChI=1S/C9H12NO4P/c1-13-15(12,14-2)10-9(11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,11,12)

InChIKey

IJZVLPFIUWFOFA-UHFFFAOYSA-N

Compound name

N-dimethoxyphosphorylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.0504 Da
Monoisotopic Mass: 0.6
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]+	230.05768	148.7
[M+Na]+	252.03962	155.1
[M-H]-	228.04312	151.2
[M+NH4]+	247.08422	166.7
[M+K]+	268.01356	154.9
[M+H-H2O]+	212.04766	140.2
[M+HCOO]-	274.04860	178.1
[M+CH3COO]-	288.06425	190.1
[M+Na-2H]-	250.02507	153.1
[M]+	229.04985	152.3
[M]-	229.05095	152.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.