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 168.1
[M+Na]+ 351.00964 172.2
[M-H]- 327.01314 166.3
[M+NH4]+ 346.05424 182.7
[M+K]+ 366.98358 170.5
[M+H-H2O]+ 311.01768 159.4
[M+HCOO]- 373.01862 182.8
[M+CH3COO]- 387.03427 203.3
[M+Na-2H]- 348.99509 164.0
[M]+ 328.01987 177.6
[M]- 328.02097 177.6
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