CID 15049

1445-38-1

Structural Information

Molecular Formula

C₁₀H₁₆NO₃P

SMILES

CCOP(=O)(NC1=CC=CC=C1)OCC

InChI

InChI=1S/C10H16NO3P/c1-3-13-15(12,14-4-2)11-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,11,12)

InChIKey

GESBKELMKMNZLZ-UHFFFAOYSA-N

Compound name

N-diethoxyphosphorylaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 68
Patents: 229.08678 Da
Monoisotopic Mass: 2.1
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]+	230.09406	152.3
[M+Na]+	252.07600	158.3
[M-H]-	228.07950	154.4
[M+NH4]+	247.12060	170.4
[M+K]+	268.04994	157.3
[M+H-H2O]+	212.08404	143.5
[M+HCOO]-	274.08498	181.9
[M+CH3COO]-	288.10063	191.8
[M+Na-2H]-	250.06145	157.0
[M]+	229.08623	156.2
[M]-	229.08733	156.2

Literature stripe

literature stripe

Patent stripe

patents stripe