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]+ 172.051676 128.2
[M+Na]+ 194.033618 136.7
[M-H]- 170.037124 130.0
[M+NH4]+ 189.078223 146.5
[M+K]+ 210.007558 131.1
[M+H-H2O]+ 154.041660 125.5
[M+HCOO]- 216.042601 153.7
[M+CH3COO]- 230.058251 175.8
[M+Na-2H]- 192.019066 137.6
[M]+ 171.04385142 125.3
[M]- 171.04494858 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.