CID 26449

Fenthion oxon sulfone

Structural Information

Molecular Formula
C10H15O6PS
SMILES
CC1=C(C=CC(=C1)OP(=O)(OC)OC)S(=O)(=O)C
InChI
InChI=1S/C10H15O6PS/c1-8-7-9(16-17(11,14-2)15-3)5-6-10(8)18(4,12)13/h5-7H,1-4H3
InChIKey
VUTHWSUXEOILTN-UHFFFAOYSA-N
Compound name
dimethyl (3-methyl-4-methylsulfonylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

294.03268 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.03996 161.5
[M+Na]+ 317.02190 170.9
[M+NH4]+ 312.06650 166.4
[M+K]+ 332.99584 166.6
[M-H]- 293.02540 159.5
[M+Na-2H]- 315.00735 164.6
[M]+ 294.03213 162.5
[M]- 294.03323 162.5
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

patents stripe