CID 110592

2-propanone, 1-(2-furanylthio)-

Structural Information

Molecular Formula
C7H8O2S
SMILES
CC(=O)CSC1=CC=CO1
InChI
InChI=1S/C7H8O2S/c1-6(8)5-10-7-3-2-4-9-7/h2-4H,5H2,1H3
InChIKey
VMOQMRASANYFMP-UHFFFAOYSA-N
Compound name
1-(furan-2-ylsulfanyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.0245 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.031776 130.6
[M+Na]+ 179.013718 139.3
[M-H]- 155.017224 135.5
[M+NH4]+ 174.058323 152.7
[M+K]+ 194.987658 139.1
[M+H-H2O]+ 139.021760 125.8
[M+HCOO]- 201.022701 150.1
[M+CH3COO]- 215.038351 173.2
[M+Na-2H]- 176.999166 133.8
[M]+ 156.02395142 134.9
[M]- 156.02504858 134.9
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.