CID 8952

Morphothion

Structural Information

Molecular Formula

C₈H₁₆NO₄PS₂

SMILES

COP(=S)(OC)SCC(=O)N1CCOCC1

InChI

InChI=1S/C8H16NO4PS2/c1-11-14(15,12-2)16-7-8(10)9-3-5-13-6-4-9/h3-7H2,1-2H3

InChIKey

NTHGWXIWFHGPLK-UHFFFAOYSA-N

Compound name

2-dimethoxyphosphinothioylsulfanyl-1-morpholin-4-ylethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5287
Patents: 285.02585 Da
Monoisotopic Mass: 0.8
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]+	286.03313	156.7
[M+Na]+	308.01507	160.9
[M-H]-	284.01857	157.1
[M+NH4]+	303.05967	170.6
[M+K]+	323.98901	160.1
[M+H-H2O]+	268.02311	147.7
[M+HCOO]-	330.02405	169.3
[M+CH3COO]-	344.03970	194.4
[M+Na-2H]-	306.00052	155.3
[M]+	285.02530	159.6
[M]-	285.02640	159.6

Literature stripe

literature stripe

Patent stripe

patents stripe