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

55
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

literature stripe

Patent stripe

patents stripe