CID 77121

3572-55-2

Structural Information

Molecular Formula

C₅H₁₀NO₂PS₃

SMILES

COP(=S)(N=C1SCCS1)OC

InChI

InChI=1S/C5H10NO2PS3/c1-7-9(10,8-2)6-5-11-3-4-12-5/h3-4H2,1-2H3

InChIKey

QZWJVZLRTODWDH-UHFFFAOYSA-N

Compound name

N-dimethoxyphosphinothioyl-1,3-dithiolan-2-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 242.96114 Da
Monoisotopic Mass: 2.8
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]+	243.96842	144.5
[M+Na]+	265.95036	151.4
[M-H]-	241.95386	147.1
[M+NH4]+	260.99496	164.6
[M+K]+	281.92430	147.8
[M+H-H2O]+	225.95840	136.3
[M+HCOO]-	287.95934	158.8
[M+CH3COO]-	301.97499	190.7
[M+Na-2H]-	263.93581	142.8
[M]+	242.96059	145.9
[M]-	242.96169	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe