CID 840332

3,6-dibromoquinoline

Structural Information

Molecular Formula
C9H5Br2N
SMILES
C1=CC2=NC=C(C=C2C=C1Br)Br
InChI
InChI=1S/C9H5Br2N/c10-7-1-2-9-6(3-7)4-8(11)5-12-9/h1-5H
InChIKey
CYLMMNPZLQGNEW-UHFFFAOYSA-N
Compound name
3,6-dibromoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

284.87888 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.886156 134.9
[M+Na]+ 307.868098 147.0
[M-H]- 283.871604 141.8
[M+NH4]+ 302.912703 154.7
[M+K]+ 323.842038 132.1
[M+H-H2O]+ 267.876140 143.7
[M+HCOO]- 329.877081 150.7
[M+CH3COO]- 343.892731 149.9
[M+Na-2H]- 305.853546 145.1
[M]+ 284.87833142 169.1
[M]- 284.87942858 169.1
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