CID 200999

Kaya-ace

Structural Information

Molecular Formula

C₁₂H₂₀NO₅PS₂

SMILES

CCOP(=S)(OCC)OC1=CC=C(C=C1)S(=O)(=O)N(C)C

InChI

InChI=1S/C12H20NO5PS2/c1-5-16-19(20,17-6-2)18-11-7-9-12(10-8-11)21(14,15)13(3)4/h7-10H,5-6H2,1-4H3

InChIKey

RQRGLPSXUHGMES-UHFFFAOYSA-N

Compound name

4-diethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 71
Patents: 353.05206 Da
Monoisotopic Mass: 2.5
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]+	354.059336	174.0
[M+Na]+	376.041278	179.5
[M-H]-	352.044784	177.1
[M+NH4]+	371.085883	188.1
[M+K]+	392.015218	177.3
[M+H-H2O]+	336.049320	164.1
[M+HCOO]-	398.050261	192.3
[M+CH3COO]-	412.065911	213.2
[M+Na-2H]-	374.026726	174.8
[M]+	353.05151142	182.9
[M]-	353.05260858	182.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe