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 151.1
[M+Na]+ 322.94512 161.2
[M-H]- 298.94862 151.9
[M+NH4]+ 317.98972 166.1
[M+K]+ 338.91906 156.3
[M+H-H2O]+ 282.95316 142.9
[M+HCOO]- 344.95410 163.7
[M+CH3COO]- 358.96975 196.8
[M+Na-2H]- 320.93057 150.9
[M]+ 299.95535 159.1
[M]- 299.95645 159.1
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.