CID 72208170

1-(5-bromo-3-nitropyridin-2-yl)ethanone

Structural Information

Molecular Formula
C7H5BrN2O3
SMILES
CC(=O)C1=C(C=C(C=N1)Br)[N+](=O)[O-]
InChI
InChI=1S/C7H5BrN2O3/c1-4(11)7-6(10(12)13)2-5(8)3-9-7/h2-3H,1H3
InChIKey
QPUXVERERDQWCV-UHFFFAOYSA-N
Compound name
1-(5-bromo-3-nitropyridin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.94835 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.95563 142.3
[M+Na]+ 266.93757 146.1
[M+NH4]+ 261.98217 146.1
[M+K]+ 282.91151 149.4
[M-H]- 242.94107 142.8
[M+Na-2H]- 264.92302 145.0
[M]+ 243.94780 141.6
[M]- 243.94890 141.6
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.