CID 4121433

1,3,5-tri(thiophen-2-yl)benzene

Structural Information

Molecular Formula
C18H12S3
SMILES
C1=CSC(=C1)C2=CC(=CC(=C2)C3=CC=CS3)C4=CC=CS4
InChI
InChI=1S/C18H12S3/c1-4-16(19-7-1)13-10-14(17-5-2-8-20-17)12-15(11-13)18-6-3-9-21-18/h1-12H
InChIKey
UBHPRZXDFVCNHZ-UHFFFAOYSA-N
Compound name
2-(3,5-dithiophen-2-ylphenyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

324.0101 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.01738 165.6
[M+Na]+ 346.99932 180.1
[M+NH4]+ 342.04392 177.4
[M+K]+ 362.97326 170.3
[M-H]- 323.00282 174.9
[M+Na-2H]- 344.98477 175.9
[M]+ 324.00955 172.0
[M]- 324.01065 172.0
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