CID 12408184

2-fluoro-3-methyl-5-nitropyridine

Structural Information

Molecular Formula
C6H5FN2O2
SMILES
CC1=CC(=CN=C1F)[N+](=O)[O-]
InChI
InChI=1S/C6H5FN2O2/c1-4-2-5(9(10)11)3-8-6(4)7/h2-3H,1H3
InChIKey
CFKHKTLGKNBEPI-UHFFFAOYSA-N
Compound name
2-fluoro-3-methyl-5-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

156.03351 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.040786 124.9
[M+Na]+ 179.022728 134.4
[M-H]- 155.026234 126.8
[M+NH4]+ 174.067333 144.2
[M+K]+ 194.996668 129.0
[M+H-H2O]+ 139.030770 122.7
[M+HCOO]- 201.031711 149.4
[M+CH3COO]- 215.047361 171.2
[M+Na-2H]- 177.008176 133.8
[M]+ 156.03296142 122.8
[M]- 156.03405858 122.8
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