CID 3047328

Brn 2216748

Structural Information

Molecular Formula
C9H19O4PS3
SMILES
CCOP(OCC)SCCSCC(=O)OCS
InChI
InChI=1S/C9H19O4PS3/c1-3-12-14(13-4-2)17-6-5-16-7-9(10)11-8-15/h15H,3-8H2,1-2H3
InChIKey
BTBGOWPOLZYZJV-UHFFFAOYSA-N
Compound name
sulfanylmethyl 2-(2-diethoxyphosphanylsulfanylethylsulfanyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.0183 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.02558 161.7
[M+Na]+ 341.00752 165.1
[M-H]- 317.01102 159.0
[M+NH4]+ 336.05212 176.4
[M+K]+ 356.98146 161.2
[M+H-H2O]+ 301.01556 152.1
[M+HCOO]- 363.01650 172.0
[M+CH3COO]- 377.03215 204.4
[M+Na-2H]- 338.99297 156.5
[M]+ 318.01775 169.7
[M]- 318.01885 169.7
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.