CID 80214

Fensulfothion oxon sulfone

Structural Information

Molecular Formula
C11H17O6PS
SMILES
CCOP(=O)(OCC)OC1=CC=C(C=C1)S(=O)(=O)C
InChI
InChI=1S/C11H17O6PS/c1-4-15-18(12,16-5-2)17-10-6-8-11(9-7-10)19(3,13)14/h6-9H,4-5H2,1-3H3
InChIKey
KUBUBYBFFRVFHD-UHFFFAOYSA-N
Compound name
diethyl (4-methylsulfonylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

308.04834 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.05562 164.5
[M+Na]+ 331.03756 171.9
[M-H]- 307.04106 167.2
[M+NH4]+ 326.08216 180.3
[M+K]+ 347.01150 170.9
[M+H-H2O]+ 291.04560 155.8
[M+HCOO]- 353.04654 187.4
[M+CH3COO]- 367.06219 199.8
[M+Na-2H]- 329.02301 167.3
[M]+ 308.04779 174.1
[M]- 308.04889 174.1
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