CID 3039866

Brn 0663645

Structural Information

Molecular Formula
C9H15N2O3PS2
SMILES
CCC1=NN(C(=O)C=C1)CSP(=S)(OC)OC
InChI
InChI=1S/C9H15N2O3PS2/c1-4-8-5-6-9(12)11(10-8)7-17-15(16,13-2)14-3/h5-6H,4,7H2,1-3H3
InChIKey
RQKHHXBZPHGBLF-UHFFFAOYSA-N
Compound name
2-(dimethoxyphosphinothioylsulfanylmethyl)-6-ethylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.02618 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.03346 161.5
[M+Na]+ 317.01540 171.7
[M+NH4]+ 312.06000 167.5
[M+K]+ 332.98934 163.5
[M-H]- 293.01890 160.7
[M+Na-2H]- 315.00085 164.4
[M]+ 294.02563 163.4
[M]- 294.02673 163.4
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.