CID 454757

5-phenyl-2,2'-bithiophene

Structural Information

Molecular Formula
C14H10S2
SMILES
C1=CC=C(C=C1)C2=CC=C(S2)C3=CC=CS3
InChI
InChI=1S/C14H10S2/c1-2-5-11(6-3-1)12-8-9-14(16-12)13-7-4-10-15-13/h1-10H
InChIKey
FJDUBXOCPMPNNX-UHFFFAOYSA-N
Compound name
2-phenyl-5-thiophen-2-ylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

144
Patents

242.0224 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.02968 152.2
[M+Na]+ 265.01162 164.6
[M-H]- 241.01512 163.8
[M+NH4]+ 260.05622 174.8
[M+K]+ 280.98556 158.9
[M+H-H2O]+ 225.01966 147.2
[M+HCOO]- 287.02060 171.2
[M+CH3COO]- 301.03625 167.0
[M+Na-2H]- 262.99707 152.2
[M]+ 242.02185 156.4
[M]- 242.02295 156.4
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