CID 199100

3694-54-0

Structural Information

Molecular Formula

C₁₀H₁₆NO₂PS

SMILES

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

InChI

InChI=1S/C10H16NO2PS/c1-3-12-14(15,13-4-2)11-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,11,15)

InChIKey

VTOGWEUSGRPLPD-UHFFFAOYSA-N

Compound name

N-diethoxyphosphinothioylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 245.06393 Da
Monoisotopic Mass: 3.8
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]+	246.07121	153.3
[M+Na]+	268.05315	159.4
[M-H]-	244.05665	155.5
[M+NH4]+	263.09775	171.4
[M+K]+	284.02709	156.8
[M+H-H2O]+	228.06119	144.4
[M+HCOO]-	290.06213	177.8
[M+CH3COO]-	304.07778	193.5
[M+Na-2H]-	266.03860	155.2
[M]+	245.06338	157.6
[M]-	245.06448	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe