CID 12157742

Tetrakis(4-ethynylphenyl)methane

Structural Information

Molecular Formula
C33H20
SMILES
C#CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C#C)(C3=CC=C(C=C3)C#C)C4=CC=C(C=C4)C#C
InChI
InChI=1S/C33H20/c1-5-25-9-17-29(18-10-25)33(30-19-11-26(6-2)12-20-30,31-21-13-27(7-3)14-22-31)32-23-15-28(8-4)16-24-32/h1-4,9-24H
InChIKey
JGUCYLISNORQFW-UHFFFAOYSA-N
Compound name
1-ethynyl-4-[tris(4-ethynylphenyl)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

119
Patents

416.1565 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.16378 182.7
[M+Na]+ 439.14572 189.4
[M-H]- 415.14922 185.7
[M+NH4]+ 434.19032 184.7
[M+K]+ 455.11966 181.6
[M+H-H2O]+ 399.15376 174.4
[M+HCOO]- 461.15470 182.0
[M+CH3COO]- 475.17035 182.1
[M+Na-2H]- 437.13117 178.1
[M]+ 416.15595 176.5
[M]- 416.15705 176.5
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