CID 6442486

2,2'-bithiophene, 5-(3-penten-1-ynyl)-

Structural Information

Molecular Formula
C13H10S2
SMILES
C/C=C/C#CC1=CC=C(S1)C2=CC=CS2
InChI
InChI=1S/C13H10S2/c1-2-3-4-6-11-8-9-13(15-11)12-7-5-10-14-12/h2-3,5,7-10H,1H3/b3-2+
InChIKey
FEESEVYIPPQXKI-NSCUHMNNSA-N
Compound name
2-[(E)-pent-3-en-1-ynyl]-5-thiophen-2-ylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.0224 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.02968 165.0
[M+Na]+ 253.01162 179.6
[M-H]- 229.01512 171.8
[M+NH4]+ 248.05622 186.0
[M+K]+ 268.98556 172.4
[M+H-H2O]+ 213.01966 154.0
[M+HCOO]- 275.02060 177.1
[M+CH3COO]- 289.03625 177.1
[M+Na-2H]- 250.99707 161.9
[M]+ 230.02185 164.0
[M]- 230.02295 164.0
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.