CID 182032

O-ethyl s-propyl phosphorothioate

Structural Information

Molecular Formula

C₅H₁₃O₃PS

SMILES

CCCSP(=O)(O)OCC

InChI

InChI=1S/C5H13O3PS/c1-3-5-10-9(6,7)8-4-2/h3-5H2,1-2H3,(H,6,7)

InChIKey

JHUCCRNKXWBDTO-UHFFFAOYSA-N

Compound name

ethoxy(propylsulfanyl)phosphinic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 74
Patents: 184.0323 Da
Monoisotopic Mass: 0.6
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]+	185.03958	138.7
[M+Na]+	207.02152	145.8
[M-H]-	183.02502	136.7
[M+NH4]+	202.06612	159.1
[M+K]+	222.99546	144.7
[M+H-H2O]+	167.02956	131.8
[M+HCOO]-	229.03050	160.7
[M+CH3COO]-	243.04615	177.7
[M+Na-2H]-	205.00697	139.6
[M]+	184.03175	144.2
[M]-	184.03285	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe