CID 30684

Fosthietan

Structural Information

Molecular Formula

C₆H₁₂NO₃PS₂

SMILES

CCOP(=O)(N=C1SCS1)OCC

InChI

InChI=1S/C6H12NO3PS2/c1-3-9-11(8,10-4-2)7-6-12-5-13-6/h3-5H2,1-2H3

InChIKey

RHJOIOVESMTJEK-UHFFFAOYSA-N

Compound name

N-diethoxyphosphoryl-1,3-dithietan-2-imine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1
References: 6848
Patents: 240.99962 Da
Monoisotopic Mass: 0.7
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]+	242.00690	139.2
[M+Na]+	263.98884	142.1
[M-H]-	239.99234	141.5
[M+NH4]+	259.03344	150.9
[M+K]+	279.96278	143.8
[M+H-H2O]+	223.99688	123.8
[M+HCOO]-	285.99782	157.2
[M+CH3COO]-	300.01347	194.9
[M+Na-2H]-	261.97429	138.9
[M]+	240.99907	152.2
[M]-	241.00017	152.2

Literature stripe

literature stripe

Patent stripe

patents stripe