CID 157751

3,2':5',3''-terthiophene

Structural Information

Molecular Formula
C12H8S3
SMILES
C1=CSC=C1C2=CC=C(S2)C3=CSC=C3
InChI
InChI=1S/C12H8S3/c1-2-12(10-4-6-14-8-10)15-11(1)9-3-5-13-7-9/h1-8H
InChIKey
OQKJYJOKTGKIRJ-UHFFFAOYSA-N
Compound name
2,5-di(thiophen-3-yl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

247.97882 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.98610 155.3
[M+Na]+ 270.96804 169.8
[M-H]- 246.97154 167.3
[M+NH4]+ 266.01264 179.6
[M+K]+ 286.94198 164.4
[M+H-H2O]+ 230.97608 152.3
[M+HCOO]- 292.97702 170.3
[M+CH3COO]- 306.99267 170.2
[M+Na-2H]- 268.95349 152.6
[M]+ 247.97827 160.3
[M]- 247.97937 160.3
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