CID 22380026

5-nitro-2-(trifluoromethyl)pyridin-4-amine

Structural Information

Molecular Formula
C6H4F3N3O2
SMILES
C1=C(C(=CN=C1C(F)(F)F)[N+](=O)[O-])N
InChI
InChI=1S/C6H4F3N3O2/c7-6(8,9)5-1-3(10)4(2-11-5)12(13)14/h1-2H,(H2,10,11)
InChIKey
PVCDQWOCSKSIQG-UHFFFAOYSA-N
Compound name
5-nitro-2-(trifluoromethyl)pyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

207.02556 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.032836 132.7
[M+Na]+ 230.014778 141.9
[M-H]- 206.018284 131.7
[M+NH4]+ 225.059383 149.3
[M+K]+ 245.988718 135.5
[M+H-H2O]+ 190.022820 128.8
[M+HCOO]- 252.023761 154.0
[M+CH3COO]- 266.039411 180.2
[M+Na-2H]- 228.000226 141.1
[M]+ 207.02501142 125.8
[M]- 207.02610858 125.8
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

patents stripe