CID 14270597

1-(furan-2-yl)-2-(methylsulfonyl)ethanone

Structural Information

Molecular Formula
C7H8O4S
SMILES
CS(=O)(=O)CC(=O)C1=CC=CO1
InChI
InChI=1S/C7H8O4S/c1-12(9,10)5-6(8)7-3-2-4-11-7/h2-4H,5H2,1H3
InChIKey
FNOPTHIMKBKGMN-UHFFFAOYSA-N
Compound name
1-(furan-2-yl)-2-methylsulfonylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.01433 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.02161 138.6
[M+Na]+ 211.00355 148.2
[M+NH4]+ 206.04815 145.5
[M+K]+ 226.97749 144.8
[M-H]- 187.00705 138.9
[M+Na-2H]- 208.98900 141.7
[M]+ 188.01378 140.3
[M]- 188.01488 140.3
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.