CID 6434757

Monsanto cp-20220

Structural Information

Molecular Formula
C10H17O6PS2
SMILES
CCOP(=S)(OCC)S/C(=C/C(=O)OC)/C(=O)OC
InChI
InChI=1S/C10H17O6PS2/c1-5-15-17(18,16-6-2)19-8(10(12)14-4)7-9(11)13-3/h7H,5-6H2,1-4H3/b8-7+
InChIKey
HQZHKIRXWNEBTL-BQYQJAHWSA-N
Compound name
dimethyl (E)-2-diethoxyphosphinothioylsulfanylbut-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.02042 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.02770 170.9
[M+Na]+ 351.00964 175.1
[M+NH4]+ 346.05424 174.3
[M+K]+ 366.98358 170.3
[M-H]- 327.01314 165.8
[M+Na-2H]- 348.99509 168.5
[M]+ 328.01987 170.3
[M]- 328.02097 170.3
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.