CID 219233

Ethyl p-phenylphosphonamidoate

Structural Information

Molecular Formula

C₈H₁₂NO₂P

SMILES

CCOP(=O)(C1=CC=CC=C1)N

InChI

InChI=1S/C8H12NO2P/c1-2-11-12(9,10)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,9,10)

InChIKey

VHOZXMNGSRJOPF-UHFFFAOYSA-N

Compound name

[amino(ethoxy)phosphoryl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 185.06056 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]+	186.06784	140.7
[M+Na]+	208.04978	147.7
[M-H]-	184.05328	142.7
[M+NH4]+	203.09438	160.5
[M+K]+	224.02372	146.3
[M+H-H2O]+	168.05782	132.7
[M+HCOO]-	230.05876	170.1
[M+CH3COO]-	244.07441	183.0
[M+Na-2H]-	206.03523	145.3
[M]+	185.06001	141.5
[M]-	185.06111	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe