CID 17580

Lythidathion

Structural Information

Molecular Formula
C7H13N2O4PS3
SMILES
CCOC1=NN(C(=O)S1)CSP(=S)(OC)OC
InChI
InChI=1S/C7H13N2O4PS3/c1-4-13-6-8-9(7(10)17-6)5-16-14(15,11-2)12-3/h4-5H2,1-3H3
InChIKey
FPMIAGPUNXEUCZ-UHFFFAOYSA-N
Compound name
3-(dimethoxyphosphinothioylsulfanylmethyl)-5-ethoxy-1,3,4-thiadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4703
Patents

315.9775 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.98478 163.8
[M+Na]+ 338.96672 171.0
[M+NH4]+ 334.01132 169.3
[M+K]+ 354.94066 164.3
[M-H]- 314.97022 161.9
[M+Na-2H]- 336.95217 163.7
[M]+ 315.97695 165.3
[M]- 315.97805 165.3
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

patents stripe