CID 13244693

71866-86-9

Structural Information

Molecular Formula
C30H18
SMILES
C#CC1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC=C(C=C3)C#C)C4=CC=C(C=C4)C#C
InChI
InChI=1S/C30H18/c1-4-22-7-13-25(14-8-22)28-19-29(26-15-9-23(5-2)10-16-26)21-30(20-28)27-17-11-24(6-3)12-18-27/h1-3,7-21H
InChIKey
XJIJQOFZIULKCI-UHFFFAOYSA-N
Compound name
1,3,5-tris(4-ethynylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

378.14084 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.14812 214.2
[M+Na]+ 401.13006 221.9
[M+NH4]+ 396.17466 213.2
[M+K]+ 417.10400 210.5
[M-H]- 377.13356 207.1
[M+Na-2H]- 399.11551 212.4
[M]+ 378.14029 212.5
[M]- 378.14139 212.5
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