CID 130937410

6-bromo-5-nitropyridine-2-carbaldehyde

Structural Information

Molecular Formula
C6H3BrN2O3
SMILES
C1=CC(=C(N=C1C=O)Br)[N+](=O)[O-]
InChI
InChI=1S/C6H3BrN2O3/c7-6-5(9(11)12)2-1-4(3-10)8-6/h1-3H
InChIKey
SXXHLXPPHBKWMJ-UHFFFAOYSA-N
Compound name
6-bromo-5-nitropyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.9327 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.93998 139.4
[M+Na]+ 252.92192 143.7
[M+NH4]+ 247.96652 143.4
[M+K]+ 268.89586 146.4
[M-H]- 228.92542 140.1
[M+Na-2H]- 250.90737 142.6
[M]+ 229.93215 138.9
[M]- 229.93325 138.9
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.