CID 198114

Brn 0891667

Structural Information

Molecular Formula
C12H21N2O4PS
SMILES
CCCCOC1=NN=C(C=C1)OP(=S)(OCC)OCC
InChI
InChI=1S/C12H21N2O4PS/c1-4-7-10-15-11-8-9-12(14-13-11)18-19(20,16-5-2)17-6-3/h8-9H,4-7,10H2,1-3H3
InChIKey
LKNPLTGGOCOBBO-UHFFFAOYSA-N
Compound name
(6-butoxypyridazin-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

320.09598 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.10326 172.3
[M+Na]+ 343.08520 181.8
[M+NH4]+ 338.12980 177.2
[M+K]+ 359.05914 175.1
[M-H]- 319.08870 170.7
[M+Na-2H]- 341.07065 175.4
[M]+ 320.09543 173.4
[M]- 320.09653 173.4
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