CID 198443

Brn 2128271

Structural Information

Molecular Formula
C10H21O4PS3
SMILES
CCOP(=S)(OCC)SCSCC(=O)OC(C)C
InChI
InChI=1S/C10H21O4PS3/c1-5-12-15(16,13-6-2)18-8-17-7-10(11)14-9(3)4/h9H,5-8H2,1-4H3
InChIKey
JZESOLVVNCKFPL-UHFFFAOYSA-N
Compound name
propan-2-yl 2-(diethoxyphosphinothioylsulfanylmethylsulfanyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.03397 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.04125 168.5
[M+Na]+ 355.02319 171.8
[M-H]- 331.02669 165.7
[M+NH4]+ 350.06779 182.6
[M+K]+ 370.99713 167.5
[M+H-H2O]+ 315.03123 159.1
[M+HCOO]- 377.03217 177.3
[M+CH3COO]- 391.04782 206.7
[M+Na-2H]- 353.00864 163.9
[M]+ 332.03342 175.6
[M]- 332.03452 175.6
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

No patent data available for this compound.