CID 107156

Carbisopropoxy malathion

Structural Information

Molecular Formula
C12H23O6PS2
SMILES
CC(C)OC(=O)CC(C(=O)OC(C)C)SP(=S)(OC)OC
InChI
InChI=1S/C12H23O6PS2/c1-8(2)17-11(13)7-10(12(14)18-9(3)4)21-19(20,15-5)16-6/h8-10H,7H2,1-6H3
InChIKey
FLQSJJQRPJGANI-UHFFFAOYSA-N
Compound name
dipropan-2-yl 2-dimethoxyphosphinothioylsulfanylbutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.06738 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.07466 176.5
[M+Na]+ 381.05660 178.7
[M-H]- 357.06010 174.3
[M+NH4]+ 376.10120 189.7
[M+K]+ 397.03054 178.3
[M+H-H2O]+ 341.06464 167.7
[M+HCOO]- 403.06558 188.2
[M+CH3COO]- 417.08123 212.3
[M+Na-2H]- 379.04205 169.9
[M]+ 358.06683 186.3
[M]- 358.06793 186.3
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.