CID 135783092

3-(mercaptomethyl)-1,3,4-oxadiazol-2(3h)-one o,o-dimethyl phosphorodithioate

Structural Information

Molecular Formula
C5H9N2O4PS2
SMILES
COP(=S)(OC)SCC1=NOC(=O)N1
InChI
InChI=1S/C5H9N2O4PS2/c1-9-12(13,10-2)14-3-4-6-5(8)11-7-4/h3H2,1-2H3,(H,6,7,8)
InChIKey
XUWFHQITBUUGAR-UHFFFAOYSA-N
Compound name
3-(dimethoxyphosphinothioylsulfanylmethyl)-4H-1,2,4-oxadiazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.97414 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.98142 150.9
[M+Na]+ 278.96336 158.9
[M+NH4]+ 274.00796 156.1
[M+K]+ 294.93730 154.6
[M-H]- 254.96686 149.4
[M+Na-2H]- 276.94881 151.3
[M]+ 255.97359 152.1
[M]- 255.97469 152.1
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.