CID 92133074

4-fluoro-2-methoxy-5-nitropyridine

Structural Information

Molecular Formula
C6H5FN2O3
SMILES
COC1=NC=C(C(=C1)F)[N+](=O)[O-]
InChI
InChI=1S/C6H5FN2O3/c1-12-6-2-4(7)5(3-8-6)9(10)11/h2-3H,1H3
InChIKey
ASWFSWUPLSMIKW-UHFFFAOYSA-N
Compound name
4-fluoro-2-methoxy-5-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.02843 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03571 128.1
[M+Na]+ 195.01765 137.5
[M-H]- 171.02115 130.0
[M+NH4]+ 190.06225 146.6
[M+K]+ 210.99159 132.5
[M+H-H2O]+ 155.02569 125.6
[M+HCOO]- 217.02663 152.8
[M+CH3COO]- 231.04228 173.2
[M+Na-2H]- 193.00310 137.1
[M]+ 172.02788 127.3
[M]- 172.02898 127.3
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

No patent data available for this compound.