CID 26124

Quinalphos

Structural Information

Molecular Formula

C₁₂H₁₅N₂O₃PS

SMILES

CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1

InChI

InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3

InChIKey

JYQUHIFYBATCCY-UHFFFAOYSA-N

Compound name

diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 171
References: 100085
Patents: 298.0541 Da
Monoisotopic Mass: 4.4
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]+	299.06138	164.1
[M+Na]+	321.04332	176.2
[M+NH4]+	316.08792	171.1
[M+K]+	337.01726	168.4
[M-H]-	297.04682	164.4
[M+Na-2H]-	319.02877	169.4
[M]+	298.05355	166.3
[M]-	298.05465	166.3

Literature stripe

literature stripe

Patent stripe

patents stripe