CID 214167

Brn 1951910

Structural Information

Molecular Formula
C9H21O3PS2
SMILES
CCOP(=O)(OCC)SCC(C)SCC
InChI
InChI=1S/C9H21O3PS2/c1-5-11-13(10,12-6-2)15-8-9(4)14-7-3/h9H,5-8H2,1-4H3
InChIKey
SRSCBCSKEHCTRL-UHFFFAOYSA-N
Compound name
1-diethoxyphosphorylsulfanyl-2-ethylsulfanylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.067 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07428 158.6
[M+Na]+ 295.05622 163.6
[M-H]- 271.05972 157.1
[M+NH4]+ 290.10082 176.1
[M+K]+ 311.03016 161.4
[M+H-H2O]+ 255.06426 150.1
[M+HCOO]- 317.06520 174.4
[M+CH3COO]- 331.08085 197.8
[M+Na-2H]- 293.04167 155.4
[M]+ 272.06645 167.1
[M]- 272.06755 167.1
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.