CID 24846015

97586-78-2

Structural Information

Molecular Formula

C₁₀H₁₄NO₄PS

SMILES

CCOP(=S)(N)OC1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C10H14NO4PS/c1-3-14-16(11,17)15-9-7-5-4-6-8(9)10(12)13-2/h4-7H,3H2,1-2H3,(H2,11,17)

InChIKey

WKNGQSZPKRQEPS-UHFFFAOYSA-N

Compound name

methyl 2-[amino(ethoxy)phosphinothioyl]oxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 275.03812 Da
Monoisotopic Mass: 2.0
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]+	276.045396	158.2
[M+Na]+	298.027338	164.7
[M-H]-	274.030844	160.3
[M+NH4]+	293.071943	174.8
[M+K]+	314.001278	162.9
[M+H-H2O]+	258.035380	149.2
[M+HCOO]-	320.036321	181.6
[M+CH3COO]-	334.051971	197.4
[M+Na-2H]-	296.012786	157.9
[M]+	275.03757142	163.3
[M]-	275.03866858	163.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.