CID 82338

9,10-bis(phenylethynyl)anthracene

Structural Information

Molecular Formula
C30H18
SMILES
C1=CC=C(C=C1)C#CC2=C3C=CC=CC3=C(C4=CC=CC=C42)C#CC5=CC=CC=C5
InChI
InChI=1S/C30H18/c1-3-11-23(12-4-1)19-21-29-25-15-7-9-17-27(25)30(28-18-10-8-16-26(28)29)22-20-24-13-5-2-6-14-24/h1-18H
InChIKey
ZHBOFZNNPZNWGB-UHFFFAOYSA-N
Compound name
9,10-bis(2-phenylethynyl)anthracene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

16
References

4103
Patents

378.14084 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.14812 210.2
[M+Na]+ 401.13006 223.5
[M-H]- 377.13356 213.8
[M+NH4]+ 396.17466 218.1
[M+K]+ 417.10400 205.5
[M+H-H2O]+ 361.13810 193.0
[M+HCOO]- 423.13904 217.2
[M+CH3COO]- 437.15469 213.9
[M+Na-2H]- 399.11551 209.5
[M]+ 378.14029 200.3
[M]- 378.14139 200.3
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