CID 19578

Fenthion sulfone

Structural Information

Molecular Formula
C10H15O5PS2
SMILES
CC1=C(C=CC(=C1)OP(=S)(OC)OC)S(=O)(=O)C
InChI
InChI=1S/C10H15O5PS2/c1-8-7-9(15-16(17,13-2)14-3)5-6-10(8)18(4,11)12/h5-7H,1-4H3
InChIKey
ZDHYERRNXRANLI-UHFFFAOYSA-N
Compound name
dimethoxy-(3-methyl-4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

39
Patents

310.00986 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.01714 161.5
[M+Na]+ 332.99908 169.6
[M-H]- 309.00258 164.1
[M+NH4]+ 328.04368 177.4
[M+K]+ 348.97302 166.6
[M+H-H2O]+ 293.00712 152.9
[M+HCOO]- 355.00806 179.1
[M+CH3COO]- 369.02371 200.4
[M+Na-2H]- 330.98453 162.3
[M]+ 310.00931 169.8
[M]- 310.01041 169.8
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.