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

124
Patents

244.93237 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.93965 139.8
[M+Na]+ 267.92159 141.7
[M+NH4]+ 262.96619 142.2
[M+K]+ 283.89553 144.7
[M-H]- 243.92509 137.3
[M+Na-2H]- 265.90704 141.2
[M]+ 244.93182 137.8
[M]- 244.93292 137.8
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