CID 116226

64037-00-9

Structural Information

Molecular Formula
C7H18O3PS2
SMILES
CC[S+](C)CCSP(=O)(OC)OC
InChI
InChI=1S/C7H18O3PS2/c1-5-13(4)7-6-12-11(8,9-2)10-3/h5-7H2,1-4H3/q+1
InChIKey
QPPBJZGMNKWOGZ-UHFFFAOYSA-N
Compound name
2-dimethoxyphosphorylsulfanylethyl-ethyl-methylsulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.0435 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.05078 145.4
[M+Na]+ 268.03272 154.4
[M+NH4]+ 263.07732 153.3
[M+K]+ 284.00666 148.1
[M-H]- 244.03622 145.0
[M+Na-2H]- 266.01817 147.0
[M]+ 245.04295 147.6
[M]- 245.04405 147.6
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.