CID 198108

Brn 0888766

Structural Information

Molecular Formula
C9H15N2O3PS2
SMILES
CCOP(=S)(OCC)OC1=NN=C(C=C1)SC
InChI
InChI=1S/C9H15N2O3PS2/c1-4-12-15(16,13-5-2)14-8-6-7-9(17-3)11-10-8/h6-7H,4-5H2,1-3H3
InChIKey
RZIYUXWHAHLXAS-UHFFFAOYSA-N
Compound name
diethoxy-(6-methylsulfanylpyridazin-3-yl)oxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

294.02618 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.03346 157.7
[M+Na]+ 317.01540 165.4
[M-H]- 293.01890 157.4
[M+NH4]+ 312.06000 171.8
[M+K]+ 332.98934 162.0
[M+H-H2O]+ 277.02344 147.8
[M+HCOO]- 339.02438 174.0
[M+CH3COO]- 353.04003 198.7
[M+Na-2H]- 315.00085 157.3
[M]+ 294.02563 165.1
[M]- 294.02673 165.1
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

patents stripe