CID 6444657

O,o-dimethylphosphonothionate of isoeugenol

Structural Information

Molecular Formula
C12H17O4PS
SMILES
C/C=C/C1=CC(=C(C=C1)OP(=S)(OC)OC)OC
InChI
InChI=1S/C12H17O4PS/c1-5-6-10-7-8-11(12(9-10)13-2)16-17(18,14-3)15-4/h5-9H,1-4H3/b6-5+
InChIKey
MYGDLNKFLWQJJK-AATRIKPKSA-N
Compound name
dimethoxy-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.0585 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.06578 163.7
[M+Na]+ 311.04772 174.2
[M+NH4]+ 306.09232 170.1
[M+K]+ 327.02166 167.1
[M-H]- 287.05122 163.7
[M+Na-2H]- 309.03317 167.4
[M]+ 288.05795 165.5
[M]- 288.05905 165.5
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.