CID 14270597

123456-25-7

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 136.2
[M+Na]+ 211.00355 145.4
[M-H]- 187.00705 141.3
[M+NH4]+ 206.04815 156.8
[M+K]+ 226.97749 145.3
[M+H-H2O]+ 171.01159 131.8
[M+HCOO]- 233.01253 155.1
[M+CH3COO]- 247.02818 175.9
[M+Na-2H]- 208.98900 140.5
[M]+ 188.01378 141.4
[M]- 188.01488 141.4
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.