CID 156852064

2704631-14-9

Structural Information

Molecular Formula
C7H5BrFNO3
SMILES
COC1=NC=C(C(=C1F)C(=O)O)Br
InChI
InChI=1S/C7H5BrFNO3/c1-13-6-5(9)4(7(11)12)3(8)2-10-6/h2H,1H3,(H,11,12)
InChIKey
BRKZFMPBXYSPIX-UHFFFAOYSA-N
Compound name
5-bromo-3-fluoro-2-methoxypyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

248.94368 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.95096 138.8
[M+Na]+ 271.93290 152.1
[M-H]- 247.93640 142.2
[M+NH4]+ 266.97750 158.2
[M+K]+ 287.90684 141.5
[M+H-H2O]+ 231.94094 137.9
[M+HCOO]- 293.94188 157.6
[M+CH3COO]- 307.95753 187.8
[M+Na-2H]- 269.91835 144.8
[M]+ 248.94313 158.1
[M]- 248.94423 158.1
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