CID 232761

1,3,5-tris(4-bromophenyl)benzene

Structural Information

Molecular Formula
C24H15Br3
SMILES
C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)Br
InChI
InChI=1S/C24H15Br3/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18/h1-15H
InChIKey
HJQRITCAXSBOPC-UHFFFAOYSA-N
Compound name
1,3,5-tris(4-bromophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

368
Patents

539.8724 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.87968 182.6
[M+Na]+ 562.86162 188.2
[M-H]- 538.86512 192.3
[M+NH4]+ 557.90622 192.7
[M+K]+ 578.83556 174.8
[M+H-H2O]+ 522.86966 196.9
[M+HCOO]- 584.87060 191.8
[M+CH3COO]- 598.88625 191.2
[M+Na-2H]- 560.84707 184.5
[M]+ 539.87185 222.2
[M]- 539.87295 222.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe