CID 84697296

1784281-00-0

Structural Information

Molecular Formula
C7H5BrFNO2
SMILES
CC1=CC(=C(C(=N1)Br)F)C(=O)O
InChI
InChI=1S/C7H5BrFNO2/c1-3-2-4(7(11)12)5(9)6(8)10-3/h2H,1H3,(H,11,12)
InChIKey
SHWZAHFPDGVUKY-UHFFFAOYSA-N
Compound name
2-bromo-3-fluoro-6-methylpyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.94878 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.95606 141.1
[M+Na]+ 255.93800 144.1
[M+NH4]+ 250.98260 144.5
[M+K]+ 271.91194 145.1
[M-H]- 231.94150 139.1
[M+Na-2H]- 253.92345 143.1
[M]+ 232.94823 139.6
[M]- 232.94933 139.6
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.