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 137.7
[M+Na]+ 267.92159 149.4
[M-H]- 243.92509 140.7
[M+NH4]+ 262.96619 156.0
[M+K]+ 283.89553 138.8
[M+H-H2O]+ 227.92963 137.5
[M+HCOO]- 289.93057 155.5
[M+CH3COO]- 303.94622 183.9
[M+Na-2H]- 265.90704 143.3
[M]+ 244.93182 156.0
[M]- 244.93292 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