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

61
Patents

142.01785 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.02513 120.4
[M+Na]+ 165.00707 129.5
[M-H]- 141.01057 122.2
[M+NH4]+ 160.05167 140.0
[M+K]+ 180.98101 124.3
[M+H-H2O]+ 125.01511 118.2
[M+HCOO]- 187.01605 145.3
[M+CH3COO]- 201.03170 167.0
[M+Na-2H]- 162.99252 130.6
[M]+ 142.01730 117.6
[M]- 142.01840 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