CID 116222

64036-98-2

Structural Information

Molecular Formula
C10H24O3PS3
SMILES
CCSCC[S+](CC)CCSP(=O)(OC)OC
InChI
InChI=1S/C10H24O3PS3/c1-5-15-7-9-17(6-2)10-8-16-14(11,12-3)13-4/h5-10H2,1-4H3/q+1
InChIKey
GICPMZCWCHOATC-UHFFFAOYSA-N
Compound name
2-dimethoxyphosphorylsulfanylethyl-ethyl-(2-ethylsulfanylethyl)sulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.06253 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.06981 161.4
[M+Na]+ 342.05175 165.0
[M-H]- 318.05525 159.1
[M+NH4]+ 337.09635 176.0
[M+K]+ 358.02569 155.2
[M+H-H2O]+ 302.05979 154.6
[M+HCOO]- 364.06073 170.7
[M+CH3COO]- 378.07638 199.3
[M+Na-2H]- 340.03720 160.1
[M]+ 319.06198 166.5
[M]- 319.06308 166.5
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.