CID 11340899

Alpha-sexithiophene

Structural Information

Molecular Formula
C24H14S6
SMILES
C1=CSC(=C1)C2=CC=C(S2)C3=CC=C(S3)C4=CC=C(S4)C5=CC=C(S5)C6=CC=CS6
InChI
InChI=1S/C24H14S6/c1-3-15(25-13-1)17-5-7-19(27-17)21-9-11-23(29-21)24-12-10-22(30-24)20-8-6-18(28-20)16-4-2-14-26-16/h1-14H
InChIKey
KUJYDIFFRDAYDH-UHFFFAOYSA-N
Compound name
2-thiophen-2-yl-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

3067
Patents

493.942 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.94928 189.1
[M+Na]+ 516.93122 200.8
[M+NH4]+ 511.97582 199.2
[M+K]+ 532.90516 192.1
[M-H]- 492.93472 199.2
[M+Na-2H]- 514.91667 196.2
[M]+ 493.94145 196.0
[M]- 493.94255 196.0
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