CID 12541

Thiometon

Structural Information

Molecular Formula
C6H15O2PS3
SMILES
CCSCCSP(=S)(OC)OC
InChI
InChI=1S/C6H15O2PS3/c1-4-11-5-6-12-9(10,7-2)8-3/h4-6H2,1-3H3
InChIKey
OPASCBHCTNRLRM-UHFFFAOYSA-N
Compound name
2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

19
References

21875
Patents

245.99718 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.00446 146.1
[M+Na]+ 268.98640 152.2
[M-H]- 244.98990 144.2
[M+NH4]+ 264.03100 164.0
[M+K]+ 284.96034 147.6
[M+H-H2O]+ 228.99444 137.5
[M+HCOO]- 290.99538 157.5
[M+CH3COO]- 305.01103 191.9
[M+Na-2H]- 266.97185 143.5
[M]+ 245.99663 151.1
[M]- 245.99773 151.1
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.