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

7
Patents

178.00885 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.01613 133.8
[M+Na]+ 200.99807 145.8
[M-H]- 177.00157 143.2
[M+NH4]+ 196.04267 157.3
[M+K]+ 216.97201 144.3
[M+H-H2O]+ 161.00611 129.5
[M+HCOO]- 223.00705 157.9
[M+CH3COO]- 237.02270 150.2
[M+Na-2H]- 198.98352 137.3
[M]+ 178.00830 140.0
[M]- 178.00940 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