CID 220

Aminoparathion

Structural Information

Molecular Formula

C₁₀H₁₆NO₃PS

SMILES

CCOP(=S)(OCC)OC1=CC=C(C=C1)N

InChI

InChI=1S/C10H16NO3PS/c1-3-12-15(16,13-4-2)14-10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3

InChIKey

XIZOTXGJXSTQDI-UHFFFAOYSA-N

Compound name

4-diethoxyphosphinothioyloxyaniline

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 9
Patents: 261.05884 Da
Monoisotopic Mass: 2.6
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]+	262.066116	156.3
[M+Na]+	284.048058	163.0
[M-H]-	260.051564	158.3
[M+NH4]+	279.092663	173.7
[M+K]+	300.021998	160.6
[M+H-H2O]+	244.056100	147.4
[M+HCOO]-	306.057041	180.4
[M+CH3COO]-	320.072691	196.1
[M+Na-2H]-	282.033506	156.8
[M]+	261.05829142	161.4
[M]-	261.05938858	161.4

Literature stripe

literature stripe

Patent stripe

patents stripe