CID 129948742

2-(5-bromo-6-chloropyridin-3-yl)acetic acid

Structural Information

Molecular Formula
C7H5BrClNO2
SMILES
C1=C(C=NC(=C1Br)Cl)CC(=O)O
InChI
InChI=1S/C7H5BrClNO2/c8-5-1-4(2-6(11)12)3-10-7(5)9/h1,3H,2H2,(H,11,12)
InChIKey
OTEFXLCJCYROAS-UHFFFAOYSA-N
Compound name
2-(5-bromo-6-chloropyridin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.91922 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.92650 137.2
[M+Na]+ 271.90844 150.8
[M-H]- 247.91194 141.5
[M+NH4]+ 266.95304 157.4
[M+K]+ 287.88238 138.1
[M+H-H2O]+ 231.91648 138.1
[M+HCOO]- 293.91742 152.5
[M+CH3COO]- 307.93307 185.8
[M+Na-2H]- 269.89389 144.3
[M]+ 248.91867 157.7
[M]- 248.91977 157.7
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.