CID 305890

18494-73-0

Structural Information

Molecular Formula
C12H10O2S2
SMILES
CC(=O)C1=CC=C(S1)C2=CC=C(S2)C(=O)C
InChI
InChI=1S/C12H10O2S2/c1-7(13)9-3-5-11(15-9)12-6-4-10(16-12)8(2)14/h3-6H,1-2H3
InChIKey
DZBDNNDXPKNUGF-UHFFFAOYSA-N
Compound name
1-[5-(5-acetylthiophen-2-yl)thiophen-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

250.01222 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.01950 156.4
[M+Na]+ 273.00144 167.5
[M-H]- 249.00494 164.9
[M+NH4]+ 268.04604 178.4
[M+K]+ 288.97538 163.6
[M+H-H2O]+ 233.00948 151.8
[M+HCOO]- 295.01042 172.5
[M+CH3COO]- 309.02607 190.8
[M+Na-2H]- 270.98689 152.9
[M]+ 250.01167 162.7
[M]- 250.01277 162.7
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