CID 3483849

2-amino-3,5-difluoro-4-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H3F5N2
SMILES
C1=C(C(=C(C(=N1)N)F)C(F)(F)F)F
InChI
InChI=1S/C6H3F5N2/c7-2-1-13-5(12)4(8)3(2)6(9,10)11/h1H,(H2,12,13)
InChIKey
WCQXOZYOPSARGE-UHFFFAOYSA-N
Compound name
3,5-difluoro-4-(trifluoromethyl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.02164 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.02892 132.6
[M+Na]+ 221.01086 144.1
[M-H]- 197.01436 129.1
[M+NH4]+ 216.05546 150.6
[M+K]+ 236.98480 140.5
[M+H-H2O]+ 181.01890 122.7
[M+HCOO]- 243.01984 150.2
[M+CH3COO]- 257.03549 186.3
[M+Na-2H]- 218.99631 137.2
[M]+ 198.02109 124.6
[M]- 198.02219 124.7
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.