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

117
Patents

406.17215 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.179426 215.8
[M+Na]+ 429.161368 229.0
[M-H]- 405.164874 219.5
[M+NH4]+ 424.205973 223.2
[M+K]+ 445.135308 211.0
[M+H-H2O]+ 389.169410 198.5
[M+HCOO]- 451.170351 222.4
[M+CH3COO]- 465.186001 219.2
[M+Na-2H]- 427.146816 213.9
[M]+ 406.17160142 206.5
[M]- 406.17269858 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