CID 89713

Geigy g-34445

Structural Information

Molecular Formula
C9H14ClN2O3PS2
SMILES
CCOP(=S)(OCC)SCN1C(=O)C=CC(=N1)Cl
InChI
InChI=1S/C9H14ClN2O3PS2/c1-3-14-16(17,15-4-2)18-7-12-9(13)6-5-8(10)11-12/h5-6H,3-4,7H2,1-2H3
InChIKey
YZDMAIMYCYHQPO-UHFFFAOYSA-N
Compound name
6-chloro-2-(diethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.9872 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.99448 159.7
[M+Na]+ 350.97642 168.9
[M-H]- 326.97992 160.1
[M+NH4]+ 346.02102 173.6
[M+K]+ 366.95036 163.6
[M+H-H2O]+ 310.98446 151.1
[M+HCOO]- 372.98540 171.7
[M+CH3COO]- 387.00105 202.6
[M+Na-2H]- 348.96187 158.7
[M]+ 327.98665 168.4
[M]- 327.98775 168.4
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.