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 153.6
[M+Na]+ 283.01644 163.6
[M-H]- 259.01994 155.9
[M+NH4]+ 278.06104 170.2
[M+K]+ 298.99038 162.3
[M+H-H2O]+ 243.02448 140.0
[M+HCOO]- 305.02542 172.1
[M+CH3COO]- 319.04107 198.2
[M+Na-2H]- 281.00189 154.3
[M]+ 260.02667 156.4
[M]- 260.02777 156.4
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

No patent data available for this compound.