CID 165619

Diethylphosphinic acid p-nitrophenyl ester

Structural Information

Molecular Formula

C₁₀H₁₄NO₄P

SMILES

CCP(=O)(CC)OC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C10H14NO4P/c1-3-16(14,4-2)15-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3

InChIKey

DOJNLTSZOHKYAA-UHFFFAOYSA-N

Compound name

1-diethylphosphoryloxy-4-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 243.06604 Da
Monoisotopic Mass: 1.8
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]+	244.07332	152.6
[M+Na]+	266.05526	159.3
[M-H]-	242.05876	155.5
[M+NH4]+	261.09986	170.0
[M+K]+	282.02920	154.3
[M+H-H2O]+	226.06330	149.2
[M+HCOO]-	288.06424	182.2
[M+CH3COO]-	302.07989	187.0
[M+Na-2H]-	264.04071	158.8
[M]+	243.06549	155.2
[M]-	243.06659	155.2

Literature stripe

literature stripe

Patent stripe

patents stripe