CID 53401105

9-(4-biphenylyl)-3-bromocarbazole

Structural Information

Molecular Formula
C24H16BrN
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C=C(C=C4)Br)C5=CC=CC=C53
InChI
InChI=1S/C24H16BrN/c25-19-12-15-24-22(16-19)21-8-4-5-9-23(21)26(24)20-13-10-18(11-14-20)17-6-2-1-3-7-17/h1-16H
InChIKey
MOCNGNGLTRMQQH-UHFFFAOYSA-N
Compound name
3-bromo-9-(4-phenylphenyl)carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

346
Patents

397.0466 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.053876 193.5
[M+Na]+ 420.035818 206.2
[M-H]- 396.039324 206.3
[M+NH4]+ 415.080423 210.5
[M+K]+ 436.009758 192.2
[M+H-H2O]+ 380.043860 191.0
[M+HCOO]- 442.044801 213.2
[M+CH3COO]- 456.060451 206.2
[M+Na-2H]- 418.021266 199.0
[M]+ 397.04605142 212.8
[M]- 397.04714858 212.8
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