CID 46911836

3-fluoro-5-nitropyridine

Structural Information

Molecular Formula
C5H3FN2O2
SMILES
C1=C(C=NC=C1F)[N+](=O)[O-]
InChI
InChI=1S/C5H3FN2O2/c6-4-1-5(8(9)10)3-7-2-4/h1-3H
InChIKey
LBPCMDALPLHBTE-UHFFFAOYSA-N
Compound name
3-fluoro-5-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

142.01785 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.025126 120.4
[M+Na]+ 165.007068 129.5
[M-H]- 141.010574 122.2
[M+NH4]+ 160.051673 140.0
[M+K]+ 180.981008 124.3
[M+H-H2O]+ 125.015110 118.2
[M+HCOO]- 187.016051 145.3
[M+CH3COO]- 201.031701 167.0
[M+Na-2H]- 162.992516 130.6
[M]+ 142.01730142 117.6
[M]- 142.01839858 117.6
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

patents stripe