CID 198448

Brn 2118114

Structural Information

Molecular Formula
C8H17O5PS2
SMILES
CCOP(=O)(OCC)SCSCC(=O)OC
InChI
InChI=1S/C8H17O5PS2/c1-4-12-14(10,13-5-2)16-7-15-6-8(9)11-3/h4-7H2,1-3H3
InChIKey
BGOVSFKQTGNFLR-UHFFFAOYSA-N
Compound name
methyl 2-(diethoxyphosphorylsulfanylmethylsulfanyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.0255 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.03278 161.3
[M+Na]+ 311.01472 167.0
[M+NH4]+ 306.05932 166.4
[M+K]+ 326.98866 160.6
[M-H]- 287.01822 157.7
[M+Na-2H]- 309.00017 160.3
[M]+ 288.02495 161.6
[M]- 288.02605 161.6
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.