CID 165947433

6-fluoro-n-methyl-3-nitropyridin-2-amine

Structural Information

Molecular Formula
C6H6FN3O2
SMILES
CNC1=C(C=CC(=N1)F)[N+](=O)[O-]
InChI
InChI=1S/C6H6FN3O2/c1-8-6-4(10(11)12)2-3-5(7)9-6/h2-3H,1H3,(H,8,9)
InChIKey
JTYYVOKISKSHDV-UHFFFAOYSA-N
Compound name
6-fluoro-N-methyl-3-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.0444 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05168 128.2
[M+Na]+ 194.03362 136.7
[M-H]- 170.03712 130.0
[M+NH4]+ 189.07822 146.5
[M+K]+ 210.00756 131.1
[M+H-H2O]+ 154.04166 125.5
[M+HCOO]- 216.04260 153.7
[M+CH3COO]- 230.05825 175.8
[M+Na-2H]- 192.01907 137.6
[M]+ 171.04385 125.3
[M]- 171.04495 125.3
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.