CID 5098311

5-(3-thienyl)-2-furaldehyde

Structural Information

Molecular Formula
C9H6O2S
SMILES
C1=CSC=C1C2=CC=C(O2)C=O
InChI
InChI=1S/C9H6O2S/c10-5-8-1-2-9(11-8)7-3-4-12-6-7/h1-6H
InChIKey
GYMRFFNBNAMYNM-UHFFFAOYSA-N
Compound name
5-thiophen-3-ylfuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

178.00885 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.016126 133.8
[M+Na]+ 200.998068 145.8
[M-H]- 177.001574 143.2
[M+NH4]+ 196.042673 157.3
[M+K]+ 216.972008 144.3
[M+H-H2O]+ 161.006110 129.5
[M+HCOO]- 223.007051 157.9
[M+CH3COO]- 237.022701 150.2
[M+Na-2H]- 198.983516 137.3
[M]+ 178.00830142 140.0
[M]- 178.00939858 140.0
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