CID 15481066

5-bromopyridine-2,3-dicarboxylic acid

Structural Information

Molecular Formula
C7H4BrNO4
SMILES
C1=C(C=NC(=C1C(=O)O)C(=O)O)Br
InChI
InChI=1S/C7H4BrNO4/c8-3-1-4(6(10)11)5(7(12)13)9-2-3/h1-2H,(H,10,11)(H,12,13)
InChIKey
WDDREAGLVSBXOG-UHFFFAOYSA-N
Compound name
5-bromopyridine-2,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

244.93237 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.939646 137.7
[M+Na]+ 267.921588 149.4
[M-H]- 243.925094 140.7
[M+NH4]+ 262.966193 156.0
[M+K]+ 283.895528 138.8
[M+H-H2O]+ 227.929630 137.5
[M+HCOO]- 289.930571 155.5
[M+CH3COO]- 303.946221 183.9
[M+Na-2H]- 265.907036 143.3
[M]+ 244.93182142 156.0
[M]- 244.93291858 156.0
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

patents stripe