CID 116063

63980-90-5

Structural Information

Molecular Formula
C9H11O4PS
SMILES
COP(=O)(OCC1=CC=CO1)SCC#C
InChI
InChI=1S/C9H11O4PS/c1-3-7-15-14(10,11-2)13-8-9-5-4-6-12-9/h1,4-6H,7-8H2,2H3
InChIKey
KMWWEQFDLQMBAC-UHFFFAOYSA-N
Compound name
2-[[methoxy(prop-2-ynylsulfanyl)phosphoryl]oxymethyl]furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.01157 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.018846 149.6
[M+Na]+ 269.000788 159.9
[M-H]- 245.004294 152.0
[M+NH4]+ 264.045393 166.6
[M+K]+ 284.974728 158.9
[M+H-H2O]+ 229.008830 136.1
[M+HCOO]- 291.009771 168.3
[M+CH3COO]- 305.025421 195.5
[M+Na-2H]- 266.986236 150.7
[M]+ 246.01102142 152.0
[M]- 246.01211858 152.0
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.