CID 3039860

Brn 0661749

Structural Information

Molecular Formula
C9H15N2O3PS2
SMILES
CCOP(=S)(OCC)SCN1C(=O)C=CC=N1
InChI
InChI=1S/C9H15N2O3PS2/c1-3-13-15(16,14-4-2)17-8-11-9(12)6-5-7-10-11/h5-7H,3-4,8H2,1-2H3
InChIKey
XVWBUJDOHMNZFP-UHFFFAOYSA-N
Compound name
2-(diethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.02618 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.03346 157.4
[M+Na]+ 317.01540 165.4
[M-H]- 293.01890 157.1
[M+NH4]+ 312.06000 171.5
[M+K]+ 332.98934 161.4
[M+H-H2O]+ 277.02344 147.6
[M+HCOO]- 339.02438 173.9
[M+CH3COO]- 353.04003 197.9
[M+Na-2H]- 315.00085 156.9
[M]+ 294.02563 164.1
[M]- 294.02673 164.1
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.