CID 198318

Brn 0809356

Structural Information

Molecular Formula

C₁₀H₁₇N₂O₄PS

SMILES

CCOC1=NN=C(C=C1)OP(=S)(OCC)OCC

InChI

InChI=1S/C10H17N2O4PS/c1-4-13-9-7-8-10(12-11-9)16-17(18,14-5-2)15-6-3/h7-8H,4-6H2,1-3H3

InChIKey

ZDOMOWKOYWGOOI-UHFFFAOYSA-N

Compound name

diethoxy-(6-ethoxypyridazin-3-yl)oxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 292.06467 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	293.071946	162.9
[M+Na]+	315.053888	170.2
[M-H]-	291.057394	162.7
[M+NH4]+	310.098493	176.8
[M+K]+	331.027828	168.7
[M+H-H2O]+	275.061930	152.6
[M+HCOO]-	337.062871	184.3
[M+CH3COO]-	351.078521	199.2
[M+Na-2H]-	313.039336	164.1
[M]+	292.06412142	171.9
[M]-	292.06521858	171.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe