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

73
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 218.8
[M+Na]+ 429.16137 233.2
[M+NH4]+ 424.20597 221.0
[M+K]+ 445.13531 216.8
[M-H]- 405.16487 213.2
[M+Na-2H]- 427.14682 220.7
[M]+ 406.17160 218.6
[M]- 406.17270 218.6
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