CID 54759108

1227572-94-2

Structural Information

Molecular Formula
C6H3BrFNO
SMILES
C1=CN=C(C(=C1C=O)F)Br
InChI
InChI=1S/C6H3BrFNO/c7-6-5(8)4(3-10)1-2-9-6/h1-3H
InChIKey
WXWCXVNMFZTDCP-UHFFFAOYSA-N
Compound name
2-bromo-3-fluoropyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

202.9382 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.94548 133.8
[M+Na]+ 225.92742 137.8
[M+NH4]+ 220.97202 138.2
[M+K]+ 241.90136 137.5
[M-H]- 201.93092 132.8
[M+Na-2H]- 223.91287 137.5
[M]+ 202.93765 132.8
[M]- 202.93875 132.8
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