CID 323129

53158-83-1

Structural Information

Molecular Formula
C32H22
SMILES
CCC1=CC2=C(C3=CC=CC=C3C(=C2C=C1)C#CC4=CC=CC=C4)C#CC5=CC=CC=C5
InChI
InChI=1S/C32H22/c1-2-24-17-20-31-29(21-18-25-11-5-3-6-12-25)27-15-9-10-16-28(27)30(32(31)23-24)22-19-26-13-7-4-8-14-26/h3-17,20,23H,2H2,1H3
InChIKey
KXTNQYWZDLPDLS-UHFFFAOYSA-N
Compound name
2-ethyl-9,10-bis(2-phenylethynyl)anthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

406.17215 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.17943 215.8
[M+Na]+ 429.16137 229.0
[M-H]- 405.16487 219.5
[M+NH4]+ 424.20597 223.2
[M+K]+ 445.13531 211.0
[M+H-H2O]+ 389.16941 198.5
[M+HCOO]- 451.17035 222.4
[M+CH3COO]- 465.18600 219.2
[M+Na-2H]- 427.14682 213.9
[M]+ 406.17160 206.5
[M]- 406.17270 206.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe