CID 23067325

9-([1,1':3',1''-terphenyl]-5'-yl)-10-bromoanthracene

Structural Information

Molecular Formula
C32H21Br
SMILES
C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=C4C=CC=CC4=C(C5=CC=CC=C53)Br)C6=CC=CC=C6
InChI
InChI=1S/C32H21Br/c33-32-29-17-9-7-15-27(29)31(28-16-8-10-18-30(28)32)26-20-24(22-11-3-1-4-12-22)19-25(21-26)23-13-5-2-6-14-23/h1-21H
InChIKey
BQYDXENQXPPQLP-UHFFFAOYSA-N
Compound name
9-bromo-10-(3,5-diphenylphenyl)anthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

484.08267 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.08995 221.7
[M+Na]+ 507.07189 231.7
[M-H]- 483.07539 236.6
[M+NH4]+ 502.11649 233.4
[M+K]+ 523.04583 217.3
[M+H-H2O]+ 467.07993 216.4
[M+HCOO]- 529.08087 239.0
[M+CH3COO]- 543.09652 231.5
[M+Na-2H]- 505.05734 226.2
[M]+ 484.08212 238.4
[M]- 484.08322 238.4
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