CID 198298

Brn 0818205

Structural Information

Molecular Formula
C11H17N2O4PS
SMILES
CCOP(=S)(OCC)OC1=NN=C(C=C1)OCC=C
InChI
InChI=1S/C11H17N2O4PS/c1-4-9-14-10-7-8-11(13-12-10)17-18(19,15-5-2)16-6-3/h4,7-8H,1,5-6,9H2,2-3H3
InChIKey
RIWWIZAULUCLTG-UHFFFAOYSA-N
Compound name
diethoxy-(6-prop-2-enoxypyridazin-3-yl)oxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.06467 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.07195 166.2
[M+Na]+ 327.05389 173.4
[M-H]- 303.05739 165.8
[M+NH4]+ 322.09849 179.6
[M+K]+ 343.02783 171.1
[M+H-H2O]+ 287.06193 155.8
[M+HCOO]- 349.06287 187.5
[M+CH3COO]- 363.07852 201.3
[M+Na-2H]- 325.03934 167.0
[M]+ 304.06412 174.9
[M]- 304.06522 174.9
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.