CID 252446

3-bromocarbazole

Structural Information

Molecular Formula
C12H8BrN
SMILES
C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)Br
InChI
InChI=1S/C12H8BrN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14H
InChIKey
LTBWKAYPXIIVPC-UHFFFAOYSA-N
Compound name
3-bromo-9H-carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

3029
Patents

244.98401 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.99129 146.7
[M+Na]+ 267.97323 160.9
[M-H]- 243.97673 153.1
[M+NH4]+ 263.01783 170.0
[M+K]+ 283.94717 148.1
[M+H-H2O]+ 227.98127 147.3
[M+HCOO]- 289.98221 167.1
[M+CH3COO]- 303.99786 162.2
[M+Na-2H]- 265.95868 156.3
[M]+ 244.98346 165.5
[M]- 244.98456 165.5
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

No patent data available for this compound.