CID 3017

Diazinon

Structural Information

Molecular Formula

C₁₂H₂₁N₂O₃PS

SMILES

CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C

InChI

InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3

InChIKey

FHIVAFMUCKRCQO-UHFFFAOYSA-N

Compound name

diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 1905
References: 89278
Patents: 304.10104 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]+	305.108316	168.5
[M+Na]+	327.090258	175.7
[M-H]-	303.093764	168.4
[M+NH4]+	322.134863	182.3
[M+K]+	343.064198	173.8
[M+H-H2O]+	287.098300	158.4
[M+HCOO]-	349.099241	187.9
[M+CH3COO]-	363.114891	205.1
[M+Na-2H]-	325.075706	166.8
[M]+	304.10049142	176.7
[M]-	304.10158858	176.7

Literature stripe

literature stripe

Patent stripe

patents stripe