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]+ 209.00894 144.5
[M+Na]+ 230.99088 156.2
[M-H]- 206.99438 153.0
[M+NH4]+ 226.03548 168.3
[M+K]+ 246.96482 152.4
[M+H-H2O]+ 190.99892 140.0
[M+HCOO]- 252.99986 162.0
[M+CH3COO]- 267.01551 159.4
[M+Na-2H]- 228.97633 143.2
[M]+ 208.00111 149.6
[M]- 208.00221 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.