CID 75464817

2,4-dibromonicotinic acid

Structural Information

Molecular Formula
C6H3Br2NO2
SMILES
C1=CN=C(C(=C1Br)C(=O)O)Br
InChI
InChI=1S/C6H3Br2NO2/c7-3-1-2-9-5(8)4(3)6(10)11/h1-2H,(H,10,11)
InChIKey
MJSYWAFSWWCKTB-UHFFFAOYSA-N
Compound name
2,4-dibromopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.85306 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.86034 142.2
[M+Na]+ 301.84228 137.4
[M+NH4]+ 296.88688 143.7
[M+K]+ 317.81622 144.6
[M-H]- 277.84578 142.0
[M+Na-2H]- 299.82773 143.6
[M]+ 278.85251 140.3
[M]- 278.85361 140.3
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.