CID 175324890

2-bromo-3-fluoro-5-methylisonicotinaldehyde

Structural Information

Molecular Formula
C7H5BrFNO
SMILES
CC1=CN=C(C(=C1C=O)F)Br
InChI
InChI=1S/C7H5BrFNO/c1-4-2-10-7(8)6(9)5(4)3-11/h2-3H,1H3
InChIKey
NORNREQTQIRHIQ-UHFFFAOYSA-N
Compound name
2-bromo-3-fluoro-5-methylpyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

216.95386 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.961136 132.1
[M+Na]+ 239.943078 146.5
[M-H]- 215.946584 136.9
[M+NH4]+ 234.987683 153.7
[M+K]+ 255.917018 135.4
[M+H-H2O]+ 199.951120 131.6
[M+HCOO]- 261.952061 153.0
[M+CH3COO]- 275.967711 185.5
[M+Na-2H]- 237.928526 139.9
[M]+ 216.95331142 151.2
[M]- 216.95440858 151.2
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