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

15
Patents

245.97926 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.986536 145.0
[M+Na]+ 268.968478 159.7
[M-H]- 244.971984 150.3
[M+NH4]+ 264.013083 167.1
[M+K]+ 284.942418 147.0
[M+H-H2O]+ 228.976520 145.1
[M+HCOO]- 290.977461 164.6
[M+CH3COO]- 304.993111 160.4
[M+Na-2H]- 266.953926 155.3
[M]+ 245.97871142 164.1
[M]- 245.97980858 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