CID 198299

Brn 0818200

Structural Information

Molecular Formula
C11H15N2O4PS
SMILES
CCOP(=S)(OCC)OC1=NN=C(C=C1)OCC#C
InChI
InChI=1S/C11H15N2O4PS/c1-4-9-14-10-7-8-11(13-12-10)17-18(19,15-5-2)16-6-3/h1,7-8H,5-6,9H2,2-3H3
InChIKey
BUKJTCLDASSHGD-UHFFFAOYSA-N
Compound name
diethoxy-(6-prop-2-ynoxypyridazin-3-yl)oxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.049 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.05628 159.6
[M+Na]+ 325.03822 169.4
[M+NH4]+ 320.08282 161.5
[M+K]+ 341.01216 160.6
[M-H]- 301.04172 150.5
[M+Na-2H]- 323.02367 160.6
[M]+ 302.04845 157.8
[M]- 302.04955 157.8
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.