CID 91758

Fosthiazate

Structural Information

Molecular Formula

C₉H₁₈NO₃PS₂

SMILES

CCC(C)SP(=O)(N1CCSC1=O)OCC

InChI

InChI=1S/C9H18NO3PS2/c1-4-8(3)16-14(12,13-5-2)10-6-7-15-9(10)11/h8H,4-7H2,1-3H3

InChIKey

DUFVKSUJRWYZQP-UHFFFAOYSA-N

Compound name

3-[butan-2-ylsulfanyl(ethoxy)phosphoryl]-1,3-thiazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 45
References: 21615
Patents: 283.04657 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]+	284.05385	158.7
[M+Na]+	306.03579	164.5
[M-H]-	282.03929	159.2
[M+NH4]+	301.08039	176.2
[M+K]+	322.00973	162.5
[M+H-H2O]+	266.04383	150.5
[M+HCOO]-	328.04477	173.3
[M+CH3COO]-	342.06042	196.6
[M+Na-2H]-	304.02124	153.9
[M]+	283.04602	163.1
[M]-	283.04712	163.1

Literature stripe

literature stripe

Patent stripe

patents stripe