CID 163399093

4-bromo-2-fluoropyridine-3-carboxamide

Structural Information

Molecular Formula
C6H4BrFN2O
SMILES
C1=CN=C(C(=C1Br)C(=O)N)F
InChI
InChI=1S/C6H4BrFN2O/c7-3-1-2-10-5(8)4(3)6(9)11/h1-2H,(H2,9,11)
InChIKey
UDAMTVZJBJGAGU-UHFFFAOYSA-N
Compound name
4-bromo-2-fluoropyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.9491 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.956376 133.8
[M+Na]+ 240.938318 146.4
[M-H]- 216.941824 137.7
[M+NH4]+ 235.982923 154.3
[M+K]+ 256.912258 135.2
[M+H-H2O]+ 200.946360 132.4
[M+HCOO]- 262.947301 154.3
[M+CH3COO]- 276.962951 186.3
[M+Na-2H]- 238.923766 140.6
[M]+ 217.94855142 149.8
[M]- 217.94964858 149.8
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