CID 86658002

5-bromo-6-methoxypicolinaldehyde

Structural Information

Molecular Formula
C7H6BrNO2
SMILES
COC1=C(C=CC(=N1)C=O)Br
InChI
InChI=1S/C7H6BrNO2/c1-11-7-6(8)3-2-5(4-10)9-7/h2-4H,1H3
InChIKey
QXOUSWQSXYYKJM-UHFFFAOYSA-N
Compound name
5-bromo-6-methoxypyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

214.95819 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.96547 131.6
[M+Na]+ 237.94741 145.0
[M-H]- 213.95091 137.3
[M+NH4]+ 232.99201 153.1
[M+K]+ 253.92135 134.9
[M+H-H2O]+ 197.95545 131.7
[M+HCOO]- 259.95639 153.8
[M+CH3COO]- 273.97204 183.8
[M+Na-2H]- 235.93286 140.8
[M]+ 214.95764 152.8
[M]- 214.95874 152.8
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.