CID 13583781

104685-24-7

Structural Information

Molecular Formula
C7H17O2PS2
SMILES
CCOP(=O)(C)SCSC(C)C
InChI
InChI=1S/C7H17O2PS2/c1-5-9-10(4,8)12-6-11-7(2)3/h7H,5-6H2,1-4H3
InChIKey
ORBXPAHWLPWTEC-UHFFFAOYSA-N
Compound name
2-[[ethoxy(methyl)phosphoryl]sulfanylmethylsulfanyl]propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.04076 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.048036 146.5
[M+Na]+ 251.029978 152.6
[M-H]- 227.033484 145.5
[M+NH4]+ 246.074583 165.8
[M+K]+ 267.003918 150.4
[M+H-H2O]+ 211.038020 138.6
[M+HCOO]- 273.038961 162.6
[M+CH3COO]- 287.054611 190.0
[M+Na-2H]- 249.015426 143.8
[M]+ 228.04021142 152.9
[M]- 228.04130858 152.9
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.