CID 71482

Azamethiphos

Structural Information

Molecular Formula

C₉H₁₀ClN₂O₅PS

SMILES

COP(=O)(OC)SCN1C2=C(C=C(C=N2)Cl)OC1=O

InChI

InChI=1S/C9H10ClN2O5PS/c1-15-18(14,16-2)19-5-12-8-7(17-9(12)13)3-6(10)4-11-8/h3-4H,5H2,1-2H3

InChIKey

VNKBTWQZTQIWDV-UHFFFAOYSA-N

Compound name

6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 81
References: 21242
Patents: 323.97366 Da
Monoisotopic Mass: 1.0
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]+	324.980936	161.6
[M+Na]+	346.962878	174.2
[M-H]-	322.966384	165.0
[M+NH4]+	342.007483	177.3
[M+K]+	362.936818	172.4
[M+H-H2O]+	306.970920	153.8
[M+HCOO]-	368.971861	180.4
[M+CH3COO]-	382.987511	200.9
[M+Na-2H]-	344.948326	164.5
[M]+	323.97311142	175.0
[M]-	323.97420858	175.0

Literature stripe

literature stripe

Patent stripe

patents stripe