CID 21076372

9-([1,1'-biphenyl]-4-yl)-10-bromoanthracene

Structural Information

Molecular Formula
C26H17Br
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C4C=CC=CC4=C(C5=CC=CC=C53)Br
InChI
InChI=1S/C26H17Br/c27-26-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)26)20-16-14-19(15-17-20)18-8-2-1-3-9-18/h1-17H
InChIKey
VCJIOUBBOCVHPE-UHFFFAOYSA-N
Compound name
9-bromo-10-(4-phenylphenyl)anthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

408.05136 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.05864 196.9
[M+Na]+ 431.04058 208.2
[M-H]- 407.04408 210.0
[M+NH4]+ 426.08518 212.5
[M+K]+ 447.01452 194.2
[M+H-H2O]+ 391.04862 193.6
[M+HCOO]- 453.04956 215.9
[M+CH3COO]- 467.06521 208.8
[M+Na-2H]- 429.02603 203.9
[M]+ 408.05081 214.9
[M]- 408.05191 214.9
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