CID 155820147

6-bromo-3-fluoro-5-methylpyridine-2-carbaldehyde

Structural Information

Molecular Formula
C7H5BrFNO
SMILES
CC1=CC(=C(N=C1Br)C=O)F
InChI
InChI=1S/C7H5BrFNO/c1-4-2-5(9)6(3-11)10-7(4)8/h2-3H,1H3
InChIKey
UDCRBQXGAUKOJP-UHFFFAOYSA-N
Compound name
6-bromo-3-fluoro-5-methylpyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.95386 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.96114 132.1
[M+Na]+ 239.94308 146.5
[M-H]- 215.94658 136.9
[M+NH4]+ 234.98768 153.7
[M+K]+ 255.91702 135.4
[M+H-H2O]+ 199.95112 131.6
[M+HCOO]- 261.95206 153.0
[M+CH3COO]- 275.96771 185.5
[M+Na-2H]- 237.92853 139.9
[M]+ 216.95331 151.2
[M]- 216.95441 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

No patent data available for this compound.