CID 3039950

51442-10-5

Structural Information

Molecular Formula
C9H13Cl2N2O3PS2
SMILES
CCOP(=S)(OCC)SCN1C(=O)C=C(C(=N1)Cl)Cl
InChI
InChI=1S/C9H13Cl2N2O3PS2/c1-3-15-17(18,16-4-2)19-6-13-8(14)5-7(10)9(11)12-13/h5H,3-4,6H2,1-2H3
InChIKey
SOFLOXHTJSYKRL-UHFFFAOYSA-N
Compound name
5,6-dichloro-2-(diethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.94824 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.95552 162.0
[M+Na]+ 384.93746 171.9
[M-H]- 360.94096 162.6
[M+NH4]+ 379.98206 175.3
[M+K]+ 400.91140 165.9
[M+H-H2O]+ 344.94550 154.6
[M+HCOO]- 406.94644 169.0
[M+CH3COO]- 420.96209 207.9
[M+Na-2H]- 382.92291 160.2
[M]+ 361.94769 171.6
[M]- 361.94879 171.6
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.