CID 131752377

5-(4-acetoxy-3-oxo-1-butynyl)-2,2'-bithiophene

Structural Information

Molecular Formula
C14H10O3S2
SMILES
CC(=O)OCC(=O)C#CC1=CC=C(S1)C2=CC=CS2
InChI
InChI=1S/C14H10O3S2/c1-10(15)17-9-11(16)4-5-12-6-7-14(19-12)13-3-2-8-18-13/h2-3,6-8H,9H2,1H3
InChIKey
DTTMMEKKOHDZHY-UHFFFAOYSA-N
Compound name
[2-oxo-4-(5-thiophen-2-ylthiophen-2-yl)but-3-ynyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.00714 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.01442 154.6
[M+Na]+ 312.99636 164.6
[M+NH4]+ 308.04096 159.1
[M+K]+ 328.97030 156.1
[M-H]- 288.99986 149.0
[M+Na-2H]- 310.98181 156.8
[M]+ 290.00659 154.4
[M]- 290.00769 154.4
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.