CID 77128

O-(4-cyano-2-methoxyphenyl) o,o-dimethyl phosphorothioate

Structural Information

Molecular Formula

C₁₀H₁₂NO₄PS

SMILES

COC1=C(C=CC(=C1)C#N)OP(=S)(OC)OC

InChI

InChI=1S/C10H12NO4PS/c1-12-10-6-8(7-11)4-5-9(10)15-16(17,13-2)14-3/h4-6H,1-3H3

InChIKey

JFEUEPKNHJHJDY-UHFFFAOYSA-N

Compound name

4-dimethoxyphosphinothioyloxy-3-methoxybenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 273.02246 Da
Monoisotopic Mass: 2.8
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]+	274.029736	154.0
[M+Na]+	296.011678	164.3
[M-H]-	272.015184	157.4
[M+NH4]+	291.056283	170.2
[M+K]+	311.985618	163.1
[M+H-H2O]+	256.019720	139.7
[M+HCOO]-	318.020661	174.5
[M+CH3COO]-	332.036311	207.0
[M+Na-2H]-	293.997126	155.4
[M]+	273.02191142	157.1
[M]-	273.02300858	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe