CID 135765094

Phosphorothioic acid, o,o-diethyl o-(4-((hydroxyimino)methyl)phenyl) ester

Structural Information

Molecular Formula

C₁₁H₁₆NO₄PS

SMILES

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

InChI

InChI=1S/C11H16NO4PS/c1-3-14-17(18,15-4-2)16-12-9-10-5-7-11(13)8-6-10/h5-9,13H,3-4H2,1-2H3/b12-9+

InChIKey

DXBDQJPTPZWSNQ-FMIVXFBMSA-N

Compound name

4-[(E)-diethoxyphosphinothioyloxyiminomethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 289.05377 Da
Monoisotopic Mass: 3.5
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]+	290.061046	162.2
[M+Na]+	312.042988	168.5
[M-H]-	288.046494	164.5
[M+NH4]+	307.087593	178.5
[M+K]+	328.016928	166.3
[M+H-H2O]+	272.051030	152.8
[M+HCOO]-	334.051971	186.9
[M+CH3COO]-	348.067621	200.2
[M+Na-2H]-	310.028436	163.5
[M]+	289.05322142	169.2
[M]-	289.05431858	169.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.