CID 211153

Brn 0664377

Structural Information

Molecular Formula
C7H10ClN2O3PS2
SMILES
COP(=S)(OC)SCN1C(=O)C=CC(=N1)Cl
InChI
InChI=1S/C7H10ClN2O3PS2/c1-12-14(15,13-2)16-5-10-7(11)4-3-6(8)9-10/h3-4H,5H2,1-2H3
InChIKey
SEWJSFDJHILELY-UHFFFAOYSA-N
Compound name
6-chloro-2-(dimethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.9559 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.96318 159.5
[M+Na]+ 322.94512 170.8
[M+NH4]+ 317.98972 166.0
[M+K]+ 338.91906 162.2
[M-H]- 298.94862 158.7
[M+Na-2H]- 320.93057 162.8
[M]+ 299.95535 161.9
[M]- 299.95645 161.9
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.