CID 57746295

3-bromo-6,9-diphenylcarbazole

Structural Information

Molecular Formula
C24H16BrN
SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C4=C3C=C(C=C4)Br)C5=CC=CC=C5
InChI
InChI=1S/C24H16BrN/c25-19-12-14-24-22(16-19)21-15-18(17-7-3-1-4-8-17)11-13-23(21)26(24)20-9-5-2-6-10-20/h1-16H
InChIKey
JBEQRROTSDUCGC-UHFFFAOYSA-N
Compound name
3-bromo-6,9-diphenylcarbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

193
Patents

397.0466 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.05388 193.5
[M+Na]+ 420.03582 206.2
[M-H]- 396.03932 206.3
[M+NH4]+ 415.08042 210.5
[M+K]+ 436.00976 192.2
[M+H-H2O]+ 380.04386 191.0
[M+HCOO]- 442.04480 213.2
[M+CH3COO]- 456.06045 206.2
[M+Na-2H]- 418.02127 199.0
[M]+ 397.04605 212.8
[M]- 397.04715 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