CID 54759108

2-bromo-3-fluoropyridine-4-carbaldehyde

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

67
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 128.1
[M+Na]+ 225.92742 142.0
[M-H]- 201.93092 132.7
[M+NH4]+ 220.97202 150.0
[M+K]+ 241.90136 131.2
[M+H-H2O]+ 185.93546 127.6
[M+HCOO]- 247.93640 149.4
[M+CH3COO]- 261.95205 181.6
[M+Na-2H]- 223.91287 137.1
[M]+ 202.93765 146.5
[M]- 202.93875 146.5
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