CID 45158843

5-bromo-6-fluoronicotinic acid

Structural Information

Molecular Formula
C6H3BrFNO2
SMILES
C1=C(C=NC(=C1Br)F)C(=O)O
InChI
InChI=1S/C6H3BrFNO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H,10,11)
InChIKey
VZBMIACXKWJDNS-UHFFFAOYSA-N
Compound name
5-bromo-6-fluoropyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

218.93312 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.94040 136.8
[M+Na]+ 241.92234 139.6
[M+NH4]+ 236.96694 140.3
[M+K]+ 257.89628 140.7
[M-H]- 217.92584 134.7
[M+Na-2H]- 239.90779 139.2
[M]+ 218.93257 135.2
[M]- 218.93367 135.2
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