CID 395508

5660-45-7

Structural Information

Molecular Formula
C20H12S5
SMILES
C1=CSC(=C1)C2=CC=C(S2)C3=CC=C(S3)C4=CC=C(S4)C5=CC=CS5
InChI
InChI=1S/C20H12S5/c1-3-13(21-11-1)15-5-7-17(23-15)19-9-10-20(25-19)18-8-6-16(24-18)14-4-2-12-22-14/h1-12H
InChIKey
YFBLUJZFRBFQMR-UHFFFAOYSA-N
Compound name
2,5-bis(5-thiophen-2-ylthiophen-2-yl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

411.95425 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.96153 205.6
[M+Na]+ 434.94347 224.9
[M-H]- 410.94697 222.8
[M+NH4]+ 429.98807 226.7
[M+K]+ 450.91741 217.4
[M+H-H2O]+ 394.95151 207.3
[M+HCOO]- 456.95245 214.6
[M+CH3COO]- 470.96810 218.2
[M+Na-2H]- 432.92892 199.8
[M]+ 411.95370 210.6
[M]- 411.95480 210.6
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