CID 163513

Phosphorodithioic acid, s-(1,1-dimethylethyl) o-ethyl s-(1-methylpropyl) ester

Structural Information

Molecular Formula
C10H23O2PS2
SMILES
CCC(C)SP(=O)(OCC)SC(C)(C)C
InChI
InChI=1S/C10H23O2PS2/c1-7-9(3)14-13(11,12-8-2)15-10(4,5)6/h9H,7-8H2,1-6H3
InChIKey
IDRKBHUTUITVBX-UHFFFAOYSA-N
Compound name
2-[tert-butylsulfanyl(ethoxy)phosphoryl]sulfanylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

270.0877 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09498 163.3
[M+Na]+ 293.07692 169.9
[M+NH4]+ 288.12152 169.9
[M+K]+ 309.05086 162.6
[M-H]- 269.08042 161.0
[M+Na-2H]- 291.06237 163.1
[M]+ 270.08715 164.4
[M]- 270.08825 164.4
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

patents stripe