CID 68605388

6-bromo-8-methoxyquinoline

Structural Information

Molecular Formula
C10H8BrNO
SMILES
COC1=C2C(=CC(=C1)Br)C=CC=N2
InChI
InChI=1S/C10H8BrNO/c1-13-9-6-8(11)5-7-3-2-4-12-10(7)9/h2-6H,1H3
InChIKey
JXXVYYHNERBSBL-UHFFFAOYSA-N
Compound name
6-bromo-8-methoxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

236.97893 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.986206 140.6
[M+Na]+ 259.968148 153.6
[M-H]- 235.971654 146.9
[M+NH4]+ 255.012753 162.1
[M+K]+ 275.942088 142.8
[M+H-H2O]+ 219.976190 140.5
[M+HCOO]- 281.977131 161.2
[M+CH3COO]- 295.992781 188.8
[M+Na-2H]- 257.953596 150.9
[M]+ 236.97838142 160.9
[M]- 236.97947858 160.9
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

patents stripe