CID 116061

O-ethyl o-(furfur-2-yl) s-(prop-2'-ynyl) phosphorothioate

Structural Information

Molecular Formula
C10H13O4PS
SMILES
CCOP(=O)(OCC1=COC=C1)SCC#C
InChI
InChI=1S/C10H13O4PS/c1-3-7-16-15(11,13-4-2)14-9-10-5-6-12-8-10/h1,5-6,8H,4,7,9H2,2H3
InChIKey
AASQQIBPTGYZCV-UHFFFAOYSA-N
Compound name
3-[[ethoxy(prop-2-ynylsulfanyl)phosphoryl]oxymethyl]furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.02722 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03450 149.3
[M+Na]+ 283.01644 158.1
[M+NH4]+ 278.06104 152.4
[M+K]+ 298.99038 151.0
[M-H]- 259.01994 141.8
[M+Na-2H]- 281.00189 149.4
[M]+ 260.02667 147.8
[M]- 260.02777 147.8
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

No patent data available for this compound.