CID 70354491

Ethyl 5-bromo-3-nitropyridine-2-carboxylate

Structural Information

Molecular Formula
C8H7BrN2O4
SMILES
CCOC(=O)C1=C(C=C(C=N1)Br)[N+](=O)[O-]
InChI
InChI=1S/C8H7BrN2O4/c1-2-15-8(12)7-6(11(13)14)3-5(9)4-10-7/h3-4H,2H2,1H3
InChIKey
NJQCNFDDESQTFQ-UHFFFAOYSA-N
Compound name
ethyl 5-bromo-3-nitropyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.95892 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.96620 147.3
[M+Na]+ 296.94814 158.5
[M-H]- 272.95164 152.8
[M+NH4]+ 291.99274 165.3
[M+K]+ 312.92208 144.8
[M+H-H2O]+ 256.95618 150.4
[M+HCOO]- 318.95712 169.1
[M+CH3COO]- 332.97277 187.9
[M+Na-2H]- 294.93359 155.6
[M]+ 273.95837 167.3
[M]- 273.95947 167.3
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.