CID 77323

Phosmet oxon

Structural Information

Molecular Formula

C₁₁H₁₂NO₅PS

SMILES

COP(=O)(OC)SCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C11H12NO5PS/c1-16-18(15,17-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3

InChIKey

BEMXOWRVWRNPPL-UHFFFAOYSA-N

Compound name

2-(dimethoxyphosphorylsulfanylmethyl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 11
Patents: 301.0174 Da
Monoisotopic Mass: 1.1
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]+	302.02468	163.9
[M+Na]+	324.00662	173.1
[M+NH4]+	319.05122	169.7
[M+K]+	339.98056	169.2
[M-H]-	300.01012	162.4
[M+Na-2H]-	321.99207	165.5
[M]+	301.01685	164.9
[M]-	301.01795	164.9

Literature stripe

literature stripe

Patent stripe

patents stripe