CID 198516

68640-58-4

Structural Information

Molecular Formula
C9H19O5PS2
SMILES
CCOC(=O)CSCSP(=O)(OCC)OCC
InChI
InChI=1S/C9H19O5PS2/c1-4-12-9(10)7-16-8-17-15(11,13-5-2)14-6-3/h4-8H2,1-3H3
InChIKey
XGZNJXJOSSUDID-UHFFFAOYSA-N
Compound name
ethyl 2-(diethoxyphosphorylsulfanylmethylsulfanyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.04117 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.04845 163.5
[M+Na]+ 325.03039 168.3
[M-H]- 301.03389 161.8
[M+NH4]+ 320.07499 179.5
[M+K]+ 341.00433 166.4
[M+H-H2O]+ 285.03843 154.7
[M+HCOO]- 347.03937 180.0
[M+CH3COO]- 361.05502 200.0
[M+Na-2H]- 323.01584 161.1
[M]+ 302.04062 173.9
[M]- 302.04172 173.9
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.