CID 58338270

3652-89-9

Structural Information

Molecular Formula
C12H8BrN
SMILES
C1=CC=C2C(=C1)C3=C(N2)C=CC=C3Br
InChI
InChI=1S/C12H8BrN/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-7,14H
InChIKey
CBJHFGQCHKNNJY-UHFFFAOYSA-N
Compound name
4-bromo-9H-carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

622
Patents

244.98401 Da
Monoisotopic Mass

4.6
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

literature stripe

Patent stripe

patents stripe