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 171.9
[M+Na]+ 343.08520 178.3
[M-H]- 319.08870 171.3
[M+NH4]+ 338.12980 184.7
[M+K]+ 359.05914 176.4
[M+H-H2O]+ 303.09324 161.2
[M+HCOO]- 365.09418 192.6
[M+CH3COO]- 379.10983 205.2
[M+Na-2H]- 341.07065 172.1
[M]+ 320.09543 181.6
[M]- 320.09653 181.6
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