CID 14209

1113-01-5

Structural Information

Molecular Formula

C₄H₉O₄PS₂

SMILES

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

InChI

InChI=1S/C4H9O4PS2/c1-7-9(10,8-2)11-3-4(5)6/h3H2,1-2H3,(H,5,6)

InChIKey

OGCAJUKWNJKZFV-UHFFFAOYSA-N

Compound name

2-dimethoxyphosphinothioylsulfanylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 215.96799 Da
Monoisotopic Mass: 1.0
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]+	216.97527	139.2
[M+Na]+	238.95721	145.8
[M-H]-	214.96071	136.9
[M+NH4]+	234.00181	157.8
[M+K]+	254.93115	143.6
[M+H-H2O]+	198.96525	131.7
[M+HCOO]-	260.96619	155.3
[M+CH3COO]-	274.98184	181.5
[M+Na-2H]-	236.94266	138.0
[M]+	215.96744	144.6
[M]-	215.96854	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe