CID 59770826

3,5-(di-9-carbazolyl)bromobenzene

Structural Information

Molecular Formula
C30H19BrN2
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC(=CC(=C4)Br)N5C6=CC=CC=C6C7=CC=CC=C75
InChI
InChI=1S/C30H19BrN2/c31-20-17-21(32-27-13-5-1-9-23(27)24-10-2-6-14-28(24)32)19-22(18-20)33-29-15-7-3-11-25(29)26-12-4-8-16-30(26)33/h1-19H
InChIKey
SJOKONNBSXFPSN-UHFFFAOYSA-N
Compound name
9-(3-bromo-5-carbazol-9-ylphenyl)carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

259
Patents

486.07315 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.08043 219.9
[M+Na]+ 509.06237 234.5
[M-H]- 485.06587 234.2
[M+NH4]+ 504.10697 235.5
[M+K]+ 525.03631 220.2
[M+H-H2O]+ 469.07041 216.6
[M+HCOO]- 531.07135 238.5
[M+CH3COO]- 545.08700 231.4
[M+Na-2H]- 507.04782 223.2
[M]+ 486.07260 242.0
[M]- 486.07370 242.0
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