CID 14454663

2,2'-bithiophene, 5-(phenylethynyl)-

Structural Information

Molecular Formula
C16H10S2
SMILES
C1=CC=C(C=C1)C#CC2=CC=C(S2)C3=CC=CS3
InChI
InChI=1S/C16H10S2/c1-2-5-13(6-3-1)8-9-14-10-11-16(18-14)15-7-4-12-17-15/h1-7,10-12H
InChIKey
WWHPIYBJGGQVOO-UHFFFAOYSA-N
Compound name
2-(2-phenylethynyl)-5-thiophen-2-ylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

266.0224 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.02968 175.8
[M+Na]+ 289.01162 191.1
[M-H]- 265.01512 184.9
[M+NH4]+ 284.05622 195.3
[M+K]+ 304.98556 182.2
[M+H-H2O]+ 249.01966 164.4
[M+HCOO]- 311.02060 188.5
[M+CH3COO]- 325.03625 187.6
[M+Na-2H]- 286.99707 173.1
[M]+ 266.02185 174.2
[M]- 266.02295 174.2
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