CID 239503

2-phenoxy-1,3,2-dioxaphospholane 2-sulfide

Structural Information

Molecular Formula
C8H9O3PS
SMILES
C1COP(=S)(O1)OC2=CC=CC=C2
InChI
InChI=1S/C8H9O3PS/c13-12(9-6-7-10-12)11-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
UDRRUMNSAMRGEE-UHFFFAOYSA-N
Compound name
2-phenoxy-2-sulfanylidene-1,3,2lambda5-dioxaphospholane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

216.001 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.00828 140.2
[M+Na]+ 238.99022 148.4
[M-H]- 214.99372 147.4
[M+NH4]+ 234.03482 160.7
[M+K]+ 254.96416 149.1
[M+H-H2O]+ 198.99826 133.1
[M+HCOO]- 260.99920 164.3
[M+CH3COO]- 275.01485 180.4
[M+Na-2H]- 236.97567 143.2
[M]+ 216.00045 143.4
[M]- 216.00155 143.4
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