CID 129948732

2-(5-bromo-2-fluoropyridin-3-yl)acetic acid

Structural Information

Molecular Formula
C7H5BrFNO2
SMILES
C1=C(C=NC(=C1CC(=O)O)F)Br
InChI
InChI=1S/C7H5BrFNO2/c8-5-1-4(2-6(11)12)7(9)10-3-5/h1,3H,2H2,(H,11,12)
InChIKey
OTNSOVSKPQNLEZ-UHFFFAOYSA-N
Compound name
2-(5-bromo-2-fluoropyridin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.94878 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.95606 137.1
[M+Na]+ 255.93800 149.6
[M-H]- 231.94150 140.1
[M+NH4]+ 250.98260 156.9
[M+K]+ 271.91194 138.5
[M+H-H2O]+ 215.94604 136.2
[M+HCOO]- 277.94698 155.7
[M+CH3COO]- 291.96263 184.7
[M+Na-2H]- 253.92345 143.7
[M]+ 232.94823 154.7
[M]- 232.94933 154.7
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.