CID 71405867

3-bromo-3',4',5'-triphenyl-1,1':2',1''-terphenyl

Structural Information

Molecular Formula
C36H25Br
SMILES
C1=CC=C(C=C1)C2=CC(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC(=CC=C6)Br
InChI
InChI=1S/C36H25Br/c37-31-23-13-22-30(24-31)33-25-32(26-14-5-1-6-15-26)34(27-16-7-2-8-17-27)36(29-20-11-4-12-21-29)35(33)28-18-9-3-10-19-28/h1-25H
InChIKey
MRSNVLFTSZWJOA-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)-2,3,4,5-tetraphenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

536.11395 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.12123 236.4
[M+Na]+ 559.10317 243.5
[M-H]- 535.10667 253.9
[M+NH4]+ 554.14777 243.3
[M+K]+ 575.07711 229.0
[M+H-H2O]+ 519.11121 229.8
[M+HCOO]- 581.11215 253.5
[M+CH3COO]- 595.12780 244.3
[M+Na-2H]- 557.08862 236.7
[M]+ 536.11340 250.2
[M]- 536.11450 250.2
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