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

510
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 213.0
[M+Na]+ 435.09109 227.8
[M-H]- 411.09459 216.9
[M+NH4]+ 430.13569 221.0
[M+K]+ 451.06503 209.0
[M+H-H2O]+ 395.09913 196.5
[M+HCOO]- 457.10007 217.4
[M+CH3COO]- 471.11572 216.9
[M+Na-2H]- 433.07654 211.8
[M]+ 412.10132 205.3
[M]- 412.10242 205.3
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