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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.07195 162.9
[M+Na]+ 315.05389 170.2
[M-H]- 291.05739 162.7
[M+NH4]+ 310.09849 176.8
[M+K]+ 331.02783 168.7
[M+H-H2O]+ 275.06193 152.6
[M+HCOO]- 337.06287 184.3
[M+CH3COO]- 351.07852 199.2
[M+Na-2H]- 313.03934 164.1
[M]+ 292.06412 171.9
[M]- 292.06522 171.9
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

patents stripe