CID 130055555

2,5,6-trifluoropyridin-3-amine

Structural Information

Molecular Formula
C5H3F3N2
SMILES
C1=C(C(=NC(=C1F)F)F)N
InChI
InChI=1S/C5H3F3N2/c6-2-1-3(9)5(8)10-4(2)7/h1H,9H2
InChIKey
PBALSOOLJZIDMM-UHFFFAOYSA-N
Compound name
2,5,6-trifluoropyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.02483 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.03211 121.5
[M+Na]+ 171.01405 132.8
[M-H]- 147.01755 120.6
[M+NH4]+ 166.05865 141.7
[M+K]+ 186.98799 130.0
[M+H-H2O]+ 131.02209 113.2
[M+HCOO]- 193.02303 143.3
[M+CH3COO]- 207.03868 177.7
[M+Na-2H]- 168.99950 127.3
[M]+ 148.02428 116.4
[M]- 148.02538 116.4
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.