CID 155128815

2-bromo-5-fluoro-3-methylpyridine-4-carbaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

216.95386 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.96114 138.1
[M+Na]+ 239.94308 142.3
[M+NH4]+ 234.98768 142.4
[M+K]+ 255.91702 141.9
[M-H]- 215.94658 137.2
[M+Na-2H]- 237.92853 141.4
[M]+ 216.95331 137.2
[M]- 216.95441 137.2
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