CID 10243261

4-bromo-2-methoxyquinoline

Structural Information

Molecular Formula
C10H8BrNO
SMILES
COC1=NC2=CC=CC=C2C(=C1)Br
InChI
InChI=1S/C10H8BrNO/c1-13-10-6-8(11)7-4-2-3-5-9(7)12-10/h2-6H,1H3
InChIKey
JHEGXRWXGSSHNQ-UHFFFAOYSA-N
Compound name
4-bromo-2-methoxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

236.97893 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.98621 140.6
[M+Na]+ 259.96815 153.6
[M-H]- 235.97165 146.9
[M+NH4]+ 255.01275 162.1
[M+K]+ 275.94209 142.8
[M+H-H2O]+ 219.97619 140.5
[M+HCOO]- 281.97713 161.2
[M+CH3COO]- 295.99278 188.8
[M+Na-2H]- 257.95360 150.9
[M]+ 236.97838 160.9
[M]- 236.97948 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

No literature data available for this compound.

Patent stripe

patents stripe