CID 130094601

5-(difluoromethyl)-6-fluoropyridin-2-amine

Structural Information

Molecular Formula
C6H5F3N2
SMILES
C1=CC(=NC(=C1C(F)F)F)N
InChI
InChI=1S/C6H5F3N2/c7-5(8)3-1-2-4(10)11-6(3)9/h1-2,5H,(H2,10,11)
InChIKey
VTFFXAWIBOEKBS-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-6-fluoropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.04048 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.047756 126.7
[M+Na]+ 185.029698 136.3
[M-H]- 161.033204 125.3
[M+NH4]+ 180.074303 145.8
[M+K]+ 201.003638 133.7
[M+H-H2O]+ 145.037740 118.0
[M+HCOO]- 207.038681 147.1
[M+CH3COO]- 221.054331 180.4
[M+Na-2H]- 183.015146 131.4
[M]+ 162.03993142 120.9
[M]- 162.04102858 120.9
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.