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]+ 233.956056 134.9
[M+Na]+ 255.937998 149.1
[M-H]- 231.941504 139.6
[M+NH4]+ 250.982603 155.8
[M+K]+ 271.911938 138.5
[M+H-H2O]+ 215.946040 134.1
[M+HCOO]- 277.946981 155.9
[M+CH3COO]- 291.962631 187.4
[M+Na-2H]- 253.923446 142.6
[M]+ 232.94823142 155.3
[M]- 232.94932858 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.