CID 198316

Brn 0804755

Structural Information

Molecular Formula
C9H13N2O4PS
SMILES
COP(=S)(OC)OC1=NN=C(C=C1)OCC=C
InChI
InChI=1S/C9H13N2O4PS/c1-4-7-14-8-5-6-9(11-10-8)15-16(17,12-2)13-3/h4-6H,1,7H2,2-3H3
InChIKey
KABSKRSNPINBNF-UHFFFAOYSA-N
Compound name
dimethoxy-(6-prop-2-enoxypyridazin-3-yl)oxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.03336 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.04064 157.2
[M+Na]+ 299.02258 165.3
[M-H]- 275.02608 157.2
[M+NH4]+ 294.06718 171.7
[M+K]+ 314.99652 163.4
[M+H-H2O]+ 259.03062 147.2
[M+HCOO]- 321.03156 179.1
[M+CH3COO]- 335.04721 195.3
[M+Na-2H]- 297.00803 158.9
[M]+ 276.03281 165.2
[M]- 276.03391 165.2
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.