CID 90077976

5-bromo-3-fluoro-2-nitropyridine

Structural Information

Molecular Formula
C5H2BrFN2O2
SMILES
C1=C(C=NC(=C1F)[N+](=O)[O-])Br
InChI
InChI=1S/C5H2BrFN2O2/c6-3-1-4(7)5(8-2-3)9(10)11/h1-2H
InChIKey
YMXQSNGTVXQMLC-UHFFFAOYSA-N
Compound name
5-bromo-3-fluoro-2-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

218
Patents

219.92838 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.935656 132.6
[M+Na]+ 242.917598 145.4
[M-H]- 218.921104 137.3
[M+NH4]+ 237.962203 153.0
[M+K]+ 258.891538 131.2
[M+H-H2O]+ 202.925640 135.8
[M+HCOO]- 264.926581 154.9
[M+CH3COO]- 278.942231 179.0
[M+Na-2H]- 240.903046 142.7
[M]+ 219.92783142 149.5
[M]- 219.92892858 149.5
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

patents stripe