CID 22665927

7-bromoisoquinoline 2-oxide

Structural Information

Molecular Formula
C9H6BrNO
SMILES
C1=CC(=CC2=C1C=C[N+](=C2)[O-])Br
InChI
InChI=1S/C9H6BrNO/c10-9-2-1-7-3-4-11(12)6-8(7)5-9/h1-6H
InChIKey
QLRDQGRZLHHBPE-UHFFFAOYSA-N
Compound name
7-bromo-2-oxidoisoquinolin-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

222.96329 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.97057 139.3
[M+Na]+ 245.95251 146.4
[M+NH4]+ 240.99711 145.9
[M+K]+ 261.92645 146.6
[M-H]- 221.95601 141.9
[M+Na-2H]- 243.93796 144.3
[M]+ 222.96274 140.1
[M]- 222.96384 140.1
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