CID 606422

5-acetyl-2,2'-bithienyl

Structural Information

Molecular Formula
C10H8OS2
SMILES
CC(=O)C1=CC=C(S1)C2=CC=CS2
InChI
InChI=1S/C10H8OS2/c1-7(11)8-4-5-10(13-8)9-3-2-6-12-9/h2-6H,1H3
InChIKey
GKGAOTYPISAEEK-UHFFFAOYSA-N
Compound name
1-(5-thiophen-2-ylthiophen-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

60
Patents

208.00166 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.008936 144.5
[M+Na]+ 230.990878 156.2
[M-H]- 206.994384 153.0
[M+NH4]+ 226.035483 168.3
[M+K]+ 246.964818 152.4
[M+H-H2O]+ 190.998920 140.0
[M+HCOO]- 252.999861 162.0
[M+CH3COO]- 267.015511 159.4
[M+Na-2H]- 228.976326 143.2
[M]+ 208.00111142 149.6
[M]- 208.00220858 149.6
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