CID 323135

2-chloro-9,10-bis(phenylethynyl)anthracene

Structural Information

Molecular Formula
C30H17Cl
SMILES
C1=CC=C(C=C1)C#CC2=C3C=CC(=CC3=C(C4=CC=CC=C42)C#CC5=CC=CC=C5)Cl
InChI
InChI=1S/C30H17Cl/c31-24-17-20-29-27(18-15-22-9-3-1-4-10-22)25-13-7-8-14-26(25)28(30(29)21-24)19-16-23-11-5-2-6-12-23/h1-14,17,20-21H
InChIKey
YDYTTZZBQVZTPY-UHFFFAOYSA-N
Compound name
2-chloro-9,10-bis(2-phenylethynyl)anthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

505
Patents

412.10187 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.10915 216.5
[M+Na]+ 435.09109 231.6
[M+NH4]+ 430.13569 219.1
[M+K]+ 451.06503 215.1
[M-H]- 411.09459 211.2
[M+Na-2H]- 433.07654 218.8
[M]+ 412.10132 216.7
[M]- 412.10242 216.7
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