CID 162342156

5-bromo-3-fluoro-2-methoxyisonicotinaldehyde

Structural Information

Molecular Formula
C7H5BrFNO2
SMILES
COC1=NC=C(C(=C1F)C=O)Br
InChI
InChI=1S/C7H5BrFNO2/c1-12-7-6(9)4(3-11)5(8)2-10-7/h2-3H,1H3
InChIKey
OYTDLTRSQXCWCV-UHFFFAOYSA-N
Compound name
5-bromo-3-fluoro-2-methoxypyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.94878 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.95606 134.9
[M+Na]+ 255.93800 149.1
[M-H]- 231.94150 139.6
[M+NH4]+ 250.98260 155.8
[M+K]+ 271.91194 138.5
[M+H-H2O]+ 215.94604 134.1
[M+HCOO]- 277.94698 155.9
[M+CH3COO]- 291.96263 187.4
[M+Na-2H]- 253.92345 142.6
[M]+ 232.94823 155.3
[M]- 232.94933 155.3
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.