CID 71757046

2-bromo-3-nitropyridine-4-carboxylic acid

Structural Information

Molecular Formula
C6H3BrN2O4
SMILES
C1=CN=C(C(=C1C(=O)O)[N+](=O)[O-])Br
InChI
InChI=1S/C6H3BrN2O4/c7-5-4(9(12)13)3(6(10)11)1-2-8-5/h1-2H,(H,10,11)
InChIKey
PCEFRLFLQALRPP-UHFFFAOYSA-N
Compound name
2-bromo-3-nitropyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.92763 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.93491 141.9
[M+Na]+ 268.91685 144.9
[M+NH4]+ 263.96145 144.9
[M+K]+ 284.89079 149.2
[M-H]- 244.92035 141.5
[M+Na-2H]- 266.90230 143.8
[M]+ 245.92708 140.7
[M]- 245.92818 140.7
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.