CID 13523

O,o-diethyl s-(carbomethoxymethyl) thiothionophosphate

Structural Information

Molecular Formula
C7H15O4PS2
SMILES
CCOP(=S)(OCC)SCC(=O)OC
InChI
InChI=1S/C7H15O4PS2/c1-4-10-12(13,11-5-2)14-6-7(8)9-3/h4-6H2,1-3H3
InChIKey
NOZSNNNGJMTFCM-UHFFFAOYSA-N
Compound name
methyl 2-diethoxyphosphinothioylsulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.01492 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.02220 152.0
[M+Na]+ 281.00414 157.9
[M-H]- 257.00764 150.7
[M+NH4]+ 276.04874 169.8
[M+K]+ 296.97808 156.0
[M+H-H2O]+ 241.01218 143.8
[M+HCOO]- 303.01312 168.8
[M+CH3COO]- 317.02877 192.2
[M+Na-2H]- 278.98959 150.0
[M]+ 258.01437 160.3
[M]- 258.01547 160.3
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

No patent data available for this compound.