CID 3488144

4-amino-3-chloro-2,5,6-trifluoro-pyridine

Structural Information

Molecular Formula
C5H2ClF3N2
SMILES
C1(=C(C(=NC(=C1Cl)F)F)F)N
InChI
InChI=1S/C5H2ClF3N2/c6-1-3(10)2(7)5(9)11-4(1)8/h(H2,10,11)
InChIKey
IJGMBUFHHBUVNG-UHFFFAOYSA-N
Compound name
3-chloro-2,5,6-trifluoropyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

181.98586 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.99314 126.4
[M+Na]+ 204.97508 139.3
[M-H]- 180.97858 125.5
[M+NH4]+ 200.01968 146.3
[M+K]+ 220.94902 134.6
[M+H-H2O]+ 164.98312 119.1
[M+HCOO]- 226.98406 143.6
[M+CH3COO]- 240.99971 182.7
[M+Na-2H]- 202.96053 131.0
[M]+ 181.98531 123.7
[M]- 181.98641 123.7
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