CID 13939275

5-(1-propynyl)-5'-vinyl-2,2'-bithiophene

Structural Information

Molecular Formula
C13H10S2
SMILES
CC#CC1=CC=C(S1)C2=CC=C(S2)C=C
InChI
InChI=1S/C13H10S2/c1-3-5-11-7-9-13(15-11)12-8-6-10(4-2)14-12/h4,6-9H,2H2,1H3
InChIKey
ZSPDHCUUQXDMTH-UHFFFAOYSA-N
Compound name
2-ethenyl-5-(5-prop-1-ynylthiophen-2-yl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.0224 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.02968 163.7
[M+Na]+ 253.01162 178.8
[M-H]- 229.01512 170.8
[M+NH4]+ 248.05622 184.8
[M+K]+ 268.98556 171.7
[M+H-H2O]+ 213.01966 152.9
[M+HCOO]- 275.02060 175.7
[M+CH3COO]- 289.03625 176.1
[M+Na-2H]- 250.99707 160.1
[M]+ 230.02185 163.2
[M]- 230.02295 163.2
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.