CID 817315

2,3-dibromoquinoline

Structural Information

Molecular Formula
C9H5Br2N
SMILES
C1=CC=C2C(=C1)C=C(C(=N2)Br)Br
InChI
InChI=1S/C9H5Br2N/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H
InChIKey
KWVPZTJLHQKCKD-UHFFFAOYSA-N
Compound name
2,3-dibromoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

284.87888 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.88616 142.9
[M+Na]+ 307.86810 139.7
[M+NH4]+ 302.91270 145.9
[M+K]+ 323.84204 145.2
[M-H]- 283.87160 144.4
[M+Na-2H]- 305.85355 145.9
[M]+ 284.87833 141.9
[M]- 284.87943 141.9
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

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