CID 69793

Methyl [(dimethoxyphosphinothioyl)thio]acetate

Structural Information

Molecular Formula
C5H11O4PS2
SMILES
COC(=O)CSP(=S)(OC)OC
InChI
InChI=1S/C5H11O4PS2/c1-7-5(6)4-12-10(11,8-2)9-3/h4H2,1-3H3
InChIKey
PLZVCZLWZIJPPO-UHFFFAOYSA-N
Compound name
methyl 2-dimethoxyphosphinothioylsulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

229.98364 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.99092 143.1
[M+Na]+ 252.97286 149.9
[M-H]- 228.97636 142.3
[M+NH4]+ 248.01746 162.0
[M+K]+ 268.94680 148.4
[M+H-H2O]+ 212.98090 135.3
[M+HCOO]- 274.98184 160.5
[M+CH3COO]- 288.99749 186.3
[M+Na-2H]- 250.95831 142.0
[M]+ 229.98309 150.7
[M]- 229.98419 150.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe