CID 129958346

1256794-42-9

Structural Information

Molecular Formula
C7H4BrF2NO2
SMILES
C1=C(C=NC(=C1C(=O)O)C(F)F)Br
InChI
InChI=1S/C7H4BrF2NO2/c8-3-1-4(7(12)13)5(6(9)10)11-2-3/h1-2,6H,(H,12,13)
InChIKey
JHSBYFTUGJBGSP-UHFFFAOYSA-N
Compound name
5-bromo-2-(difluoromethyl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.93935 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.94663 146.8
[M+Na]+ 273.92857 148.3
[M+NH4]+ 268.97317 149.2
[M+K]+ 289.90251 149.7
[M-H]- 249.93207 143.2
[M+Na-2H]- 271.91402 147.8
[M]+ 250.93880 144.5
[M]- 250.93990 144.5
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

No patent data available for this compound.