CID 137943964

2287343-14-8

Structural Information

Molecular Formula
C6H4BrNO4
SMILES
C1=C(C(=O)N(C=C1C(=O)O)O)Br
InChI
InChI=1S/C6H4BrNO4/c7-4-1-3(6(10)11)2-8(12)5(4)9/h1-2,12H,(H,10,11)
InChIKey
ROZYOIPXBRIAOS-UHFFFAOYSA-N
Compound name
5-bromo-1-hydroxy-6-oxopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.93237 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.93965 132.7
[M+Na]+ 255.92159 145.9
[M-H]- 231.92509 136.1
[M+NH4]+ 250.96619 151.8
[M+K]+ 271.89553 135.0
[M+H-H2O]+ 215.92963 132.7
[M+HCOO]- 277.93057 151.6
[M+CH3COO]- 291.94622 181.5
[M+Na-2H]- 253.90704 139.3
[M]+ 232.93182 151.6
[M]- 232.93292 151.6
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.