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 161.0
[M+Na]+ 293.07692 166.1
[M-H]- 269.08042 159.6
[M+NH4]+ 288.12152 178.7
[M+K]+ 309.05086 163.7
[M+H-H2O]+ 253.08496 153.0
[M+HCOO]- 315.08590 174.7
[M+CH3COO]- 329.10155 198.5
[M+Na-2H]- 291.06237 158.1
[M]+ 270.08715 167.8
[M]- 270.08825 167.8
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