CID 88160

Malonate malathion

Structural Information

Molecular Formula
C11H21O6PS2
SMILES
CCOC(=O)C(C(=O)OCC)SP(=S)(OCC)OCC
InChI
InChI=1S/C11H21O6PS2/c1-5-14-10(12)9(11(13)15-6-2)20-18(19,16-7-3)17-8-4/h9H,5-8H2,1-4H3
InChIKey
WBWDYIRJCFTWGN-UHFFFAOYSA-N
Compound name
diethyl 2-diethoxyphosphinothioylsulfanylpropanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.05173 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.05901 173.5
[M+Na]+ 367.04095 176.8
[M-H]- 343.04445 171.4
[M+NH4]+ 362.08555 187.4
[M+K]+ 383.01489 175.5
[M+H-H2O]+ 327.04899 164.5
[M+HCOO]- 389.04993 187.7
[M+CH3COO]- 403.06558 207.8
[M+Na-2H]- 365.02640 169.0
[M]+ 344.05118 184.1
[M]- 344.05228 184.1
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

No patent data available for this compound.