CID 20791243

2-bromo-5-fluoro-3-nitropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
Patents

219.92838 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.93566 132.6
[M+Na]+ 242.91760 145.4
[M-H]- 218.92110 137.3
[M+NH4]+ 237.96220 153.0
[M+K]+ 258.89154 131.2
[M+H-H2O]+ 202.92564 135.8
[M+HCOO]- 264.92658 154.9
[M+CH3COO]- 278.94223 179.0
[M+Na-2H]- 240.90305 142.7
[M]+ 219.92783 149.5
[M]- 219.92893 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

literature stripe

Patent stripe

patents stripe