CID 122163736

6,7-dibromoisoquinoline

Structural Information

Molecular Formula
C9H5Br2N
SMILES
C1=CN=CC2=CC(=C(C=C21)Br)Br
InChI
InChI=1S/C9H5Br2N/c10-8-3-6-1-2-12-5-7(6)4-9(8)11/h1-5H
InChIKey
KJTFILGUWPYHBN-UHFFFAOYSA-N
Compound name
6,7-dibromoisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.87888 Da
Monoisotopic Mass

3.5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.