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

7
Patents

142.00885 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.01613 125.1
[M+Na]+ 164.99807 134.6
[M-H]- 141.00157 130.1
[M+NH4]+ 160.04267 147.9
[M+K]+ 180.97201 134.3
[M+H-H2O]+ 125.00611 120.5
[M+HCOO]- 187.00705 146.1
[M+CH3COO]- 201.02270 169.4
[M+Na-2H]- 162.98352 130.0
[M]+ 142.00830 129.7
[M]- 142.00940 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