CID 526176

2-(2-thienyl)furan

Structural Information

Molecular Formula
C8H6OS
SMILES
C1=COC(=C1)C2=CC=CS2
InChI
InChI=1S/C8H6OS/c1-3-7(9-5-1)8-4-2-6-10-8/h1-6H
InChIKey
RVYKTPRETIBSPK-UHFFFAOYSA-N
Compound name
2-thiophen-2-ylfuran
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

207
Patents

150.01393 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.02121 126.5
[M+Na]+ 173.00315 138.0
[M-H]- 149.00665 135.6
[M+NH4]+ 168.04775 151.0
[M+K]+ 188.97709 137.0
[M+H-H2O]+ 133.01119 122.3
[M+HCOO]- 195.01213 150.5
[M+CH3COO]- 209.02778 143.2
[M+Na-2H]- 170.98860 131.1
[M]+ 150.01338 131.2
[M]- 150.01448 131.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe