CID 71579178

8-bromo-5h-pyrido[3,2-b]indole

Structural Information

Molecular Formula
C11H7BrN2
SMILES
C1=CC2=C(C3=C(N2)C=CC(=C3)Br)N=C1
InChI
InChI=1S/C11H7BrN2/c12-7-3-4-9-8(6-7)11-10(14-9)2-1-5-13-11/h1-6,14H
InChIKey
OXYFZHUGVBINOL-UHFFFAOYSA-N
Compound name
8-bromo-5H-pyrido[3,2-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

245.97926 Da
Monoisotopic Mass

3.1
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

No literature data available for this compound.

Patent stripe

patents stripe