CID 17717

Endothion

Structural Information

Molecular Formula
C9H13O6PS
SMILES
COC1=COC(=CC1=O)CSP(=O)(OC)OC
InChI
InChI=1S/C9H13O6PS/c1-12-9-5-15-7(4-8(9)10)6-17-16(11,13-2)14-3/h4-5H,6H2,1-3H3
InChIKey
YCAGGFXSFQFVQL-UHFFFAOYSA-N
Compound name
2-(dimethoxyphosphorylsulfanylmethyl)-5-methoxypyran-4-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1
References

8838
Patents

280.01706 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.02434 155.2
[M+Na]+ 303.00628 163.9
[M-H]- 279.00978 159.1
[M+NH4]+ 298.05088 171.2
[M+K]+ 318.98022 164.4
[M+H-H2O]+ 263.01432 146.5
[M+HCOO]- 325.01526 179.4
[M+CH3COO]- 339.03091 195.6
[M+Na-2H]- 300.99173 157.9
[M]+ 280.01651 166.2
[M]- 280.01761 166.2
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.