CID 3039875

Brn 0677868

Structural Information

Molecular Formula
C10H16ClN2O3PS2
SMILES
CCOP(=S)(OCC)SCN1C(=O)C=C(C(=N1)Cl)C
InChI
InChI=1S/C10H16ClN2O3PS2/c1-4-15-17(18,16-5-2)19-7-13-9(14)6-8(3)10(11)12-13/h6H,4-5,7H2,1-3H3
InChIKey
NJEIQGPHXWTQSQ-UHFFFAOYSA-N
Compound name
6-chloro-2-(diethoxyphosphinothioylsulfanylmethyl)-5-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.00284 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.01012 163.6
[M+Na]+ 364.99206 173.1
[M-H]- 340.99556 164.1
[M+NH4]+ 360.03666 177.2
[M+K]+ 380.96600 167.6
[M+H-H2O]+ 325.00010 155.0
[M+HCOO]- 387.00104 175.2
[M+CH3COO]- 401.01669 206.7
[M+Na-2H]- 362.97751 161.6
[M]+ 342.00229 173.0
[M]- 342.00339 173.0
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.