CID 130748926

3-bromo-4-fluoro-5-nitropyridine

Structural Information

Molecular Formula
C5H2BrFN2O2
SMILES
C1=C(C(=C(C=N1)Br)F)[N+](=O)[O-]
InChI
InChI=1S/C5H2BrFN2O2/c6-3-1-8-2-4(5(3)7)9(10)11/h1-2H
InChIKey
DFHDITMOUQZLKS-UHFFFAOYSA-N
Compound name
3-bromo-4-fluoro-5-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

219.92838 Da
Monoisotopic Mass

1.5
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

No literature data available for this compound.

Patent stripe

patents stripe