CID 1270911

4-amino-2,3,5,6-tetrafluoropyridine

Structural Information

Molecular Formula
C5H2F4N2
SMILES
C1(=C(C(=NC(=C1F)F)F)F)N
InChI
InChI=1S/C5H2F4N2/c6-1-3(10)2(7)5(9)11-4(1)8/h(H2,10,11)
InChIKey
PLVFNMQHMRRBAA-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrafluoropyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

166.01541 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.02269 124.2
[M+Na]+ 189.00463 136.4
[M-H]- 165.00813 122.2
[M+NH4]+ 184.04923 143.7
[M+K]+ 204.97857 133.1
[M+H-H2O]+ 149.01267 115.1
[M+HCOO]- 211.01361 144.8
[M+CH3COO]- 225.02926 181.8
[M+Na-2H]- 186.99008 128.6
[M]+ 166.01486 118.2
[M]- 166.01596 118.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe