CID 72803

Pyridathion

Structural Information

Molecular Formula

C₁₁H₁₉N₂O₅PS

SMILES

CCOP(=S)(OC1=C(C(=O)N(N=C1)C)OC)OC(C)C

InChI

InChI=1S/C11H19N2O5PS/c1-6-16-19(20,17-8(2)3)18-9-7-12-13(4)11(14)10(9)15-5/h7-8H,6H2,1-5H3

InChIKey

NHUNFKZUEHLVER-UHFFFAOYSA-N

Compound name

5-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-4-methoxy-2-methylpyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2117
Patents: 322.07523 Da
Monoisotopic Mass: 2.2
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]+	323.08251	170.9
[M+Na]+	345.06445	180.5
[M+NH4]+	340.10905	175.0
[M+K]+	361.03839	175.8
[M-H]-	321.06795	168.6
[M+Na-2H]-	343.04990	172.9
[M]+	322.07468	171.7
[M]-	322.07578	171.7

Literature stripe

literature stripe

Patent stripe

patents stripe