CID 225316

Ethyl malathion

Structural Information

Molecular Formula
C12H23O6PS2
SMILES
CCOC(=O)CC(C(=O)OCC)SP(=S)(OCC)OCC
InChI
InChI=1S/C12H23O6PS2/c1-5-15-11(13)9-10(12(14)16-6-2)21-19(20,17-7-3)18-8-4/h10H,5-9H2,1-4H3
InChIKey
GUSZOKIDUUNRTB-UHFFFAOYSA-N
Compound name
diethyl 2-diethoxyphosphinothioylsulfanylbutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

358.06738 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.07466 178.7
[M+Na]+ 381.05660 182.5
[M+NH4]+ 376.10120 182.1
[M+K]+ 397.03054 177.4
[M-H]- 357.06010 173.8
[M+Na-2H]- 379.04205 176.0
[M]+ 358.06683 178.2
[M]- 358.06793 178.2
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

patents stripe