CID 2762802

3-fluoro-2-nitropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

623
Patents

142.01785 Da
Monoisotopic Mass

1.1
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

literature stripe

Patent stripe

patents stripe