CID 200165

2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane-4-methanol, 1-sulfide

Structural Information

Molecular Formula
C5H9O4PS
SMILES
C1C2(COP(=S)(O1)OC2)CO
InChI
InChI=1S/C5H9O4PS/c6-1-5-2-7-10(11,8-3-5)9-4-5/h6H,1-4H2
InChIKey
IZDACOCJCGTEMV-UHFFFAOYSA-N
Compound name
(1-sulfanylidene-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octan-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

195.99591 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.00319 137.2
[M+Na]+ 218.98513 145.9
[M+NH4]+ 214.02973 149.5
[M+K]+ 234.95907 136.5
[M-H]- 194.98863 137.5
[M+Na-2H]- 216.97058 135.9
[M]+ 195.99536 139.2
[M]- 195.99646 139.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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