CID 198445

Brn 2134366

Structural Information

Molecular Formula
C11H23O4PS3
SMILES
CCOP(=S)(OCC)SCCSCC(=O)OC(C)C
InChI
InChI=1S/C11H23O4PS3/c1-5-13-16(17,14-6-2)19-8-7-18-9-11(12)15-10(3)4/h10H,5-9H2,1-4H3
InChIKey
HCGWQUXMVXFGRE-UHFFFAOYSA-N
Compound name
propan-2-yl 2-(2-diethoxyphosphinothioylsulfanylethylsulfanyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.04962 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.05690 172.6
[M+Na]+ 369.03884 175.5
[M-H]- 345.04234 169.6
[M+NH4]+ 364.08344 186.1
[M+K]+ 385.01278 170.9
[M+H-H2O]+ 329.04688 163.0
[M+HCOO]- 391.04782 181.1
[M+CH3COO]- 405.06347 209.5
[M+Na-2H]- 367.02429 167.6
[M]+ 346.04907 180.1
[M]- 346.05017 180.1
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.