CID 111780

2-(2-furanylthio)acetaldehyde

Structural Information

Molecular Formula
C6H6O2S
SMILES
C1=COC(=C1)SCC=O
InChI
InChI=1S/C6H6O2S/c7-3-5-9-6-2-1-4-8-6/h1-4H,5H2
InChIKey
GVJSZSKAOYMXAT-UHFFFAOYSA-N
Compound name
2-(furan-2-ylsulfanyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

142.00885 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.016126 125.1
[M+Na]+ 164.998068 134.6
[M-H]- 141.001574 130.1
[M+NH4]+ 160.042673 147.9
[M+K]+ 180.972008 134.3
[M+H-H2O]+ 125.006110 120.5
[M+HCOO]- 187.007051 146.1
[M+CH3COO]- 201.022701 169.4
[M+Na-2H]- 162.983516 130.0
[M]+ 142.00830142 129.7
[M]- 142.00939858 129.7
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

patents stripe