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

6
Patents

217.9491 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.95638 133.8
[M+Na]+ 240.93832 146.4
[M-H]- 216.94182 137.7
[M+NH4]+ 235.98292 154.3
[M+K]+ 256.91226 135.2
[M+H-H2O]+ 200.94636 132.4
[M+HCOO]- 262.94730 154.3
[M+CH3COO]- 276.96295 186.3
[M+Na-2H]- 238.92377 140.6
[M]+ 217.94855 149.8
[M]- 217.94965 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