CID 71079324

7-bromo-5h-pyrido[4,3-b]indole

Structural Information

Molecular Formula
C11H7BrN2
SMILES
C1=CC2=C(C=C1Br)NC3=C2C=NC=C3
InChI
InChI=1S/C11H7BrN2/c12-7-1-2-8-9-6-13-4-3-10(9)14-11(8)5-7/h1-6,14H
InChIKey
JYFKMOCKASWCPZ-UHFFFAOYSA-N
Compound name
7-bromo-5H-pyrido[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

245.97926 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.98654 145.0
[M+Na]+ 268.96848 159.7
[M-H]- 244.97198 150.3
[M+NH4]+ 264.01308 167.1
[M+K]+ 284.94242 147.0
[M+H-H2O]+ 228.97652 145.1
[M+HCOO]- 290.97746 164.6
[M+CH3COO]- 304.99311 160.4
[M+Na-2H]- 266.95393 155.3
[M]+ 245.97871 164.1
[M]- 245.97981 164.1
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