CID 74664

Tetraphenylthiophene

Structural Information

Molecular Formula
C28H20S
SMILES
C1=CC=C(C=C1)C2=C(SC(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H20S/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)29-27(25)23-17-9-3-10-18-23/h1-20H
InChIKey
MQFBWJOMLIHUDY-UHFFFAOYSA-N
Compound name
2,3,4,5-tetraphenylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

342
Patents

388.12857 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.13585 195.8
[M+Na]+ 411.11779 204.1
[M-H]- 387.12129 211.4
[M+NH4]+ 406.16239 208.7
[M+K]+ 427.09173 195.0
[M+H-H2O]+ 371.12583 185.9
[M+HCOO]- 433.12677 215.2
[M+CH3COO]- 447.14242 206.4
[M+Na-2H]- 409.10324 195.4
[M]+ 388.12802 195.8
[M]- 388.12912 195.8
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