CID 92967

O,o-dimethyl malathion

Structural Information

Molecular Formula
C8H15O6PS2
SMILES
COC(=O)CC(C(=O)OC)SP(=S)(OC)OC
InChI
InChI=1S/C8H15O6PS2/c1-11-7(9)5-6(8(10)12-2)17-15(16,13-3)14-4/h6H,5H2,1-4H3
InChIKey
GADZSMZOQMSZDT-UHFFFAOYSA-N
Compound name
dimethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

302.00476 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.01204 160.3
[M+Na]+ 324.99398 164.9
[M-H]- 300.99748 158.8
[M+NH4]+ 320.03858 175.8
[M+K]+ 340.96792 164.2
[M+H-H2O]+ 285.00202 151.8
[M+HCOO]- 347.00296 175.3
[M+CH3COO]- 361.01861 199.1
[M+Na-2H]- 322.97943 157.0
[M]+ 302.00421 169.8
[M]- 302.00531 169.8
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