CID 129952338

Methyl 2-bromo-3-nitropyridine-4-carboxylate

Structural Information

Molecular Formula
C7H5BrN2O4
SMILES
COC(=O)C1=C(C(=NC=C1)Br)[N+](=O)[O-]
InChI
InChI=1S/C7H5BrN2O4/c1-14-7(11)4-2-3-9-6(8)5(4)10(12)13/h2-3H,1H3
InChIKey
QRJJWDZQRDIOSE-UHFFFAOYSA-N
Compound name
methyl 2-bromo-3-nitropyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.94327 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.95055 145.5
[M+Na]+ 282.93249 148.8
[M+NH4]+ 277.97709 148.8
[M+K]+ 298.90643 152.6
[M-H]- 258.93599 145.5
[M+Na-2H]- 280.91794 147.8
[M]+ 259.94272 144.6
[M]- 259.94382 144.6
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.