CID 66067

Armin

Structural Information

Molecular Formula

C₁₀H₁₄NO₅P

SMILES

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

InChI

InChI=1S/C10H14NO5P/c1-3-15-17(14,4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3

InChIKey

XXUJMEYKYHETBZ-UHFFFAOYSA-N

Compound name

1-[ethoxy(ethyl)phosphoryl]oxy-4-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 92
References: 6745
Patents: 259.06097 Da
Monoisotopic Mass: 1.7
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]+	260.06825	155.2
[M+Na]+	282.05019	161.8
[M-H]-	258.05369	158.1
[M+NH4]+	277.09479	171.9
[M+K]+	298.02413	157.3
[M+H-H2O]+	242.05823	151.5
[M+HCOO]-	304.05917	185.0
[M+CH3COO]-	318.07482	189.1
[M+Na-2H]-	280.03564	161.8
[M]+	259.06042	159.1
[M]-	259.06152	159.1

Literature stripe

literature stripe

Patent stripe

patents stripe