CID 3039949

51442-09-2

Structural Information

Molecular Formula
C7H9Cl2N2O3PS2
SMILES
COP(=S)(OC)SCN1C(=O)C=C(C(=N1)Cl)Cl
InChI
InChI=1S/C7H9Cl2N2O3PS2/c1-13-15(16,14-2)17-4-11-6(12)3-5(8)7(9)10-11/h3H,4H2,1-2H3
InChIKey
YLVHYZFKXFNREQ-UHFFFAOYSA-N
Compound name
5,6-dichloro-2-(dimethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.91693 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.92421 153.5
[M+Na]+ 356.90615 164.2
[M-H]- 332.90965 154.4
[M+NH4]+ 351.95075 167.9
[M+K]+ 372.88009 158.7
[M+H-H2O]+ 316.91419 146.5
[M+HCOO]- 378.91513 161.1
[M+CH3COO]- 392.93078 202.2
[M+Na-2H]- 354.89160 152.5
[M]+ 333.91638 162.4
[M]- 333.91748 162.4
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.