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

40
Patents

207.02556 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.03284 132.7
[M+Na]+ 230.01478 141.9
[M-H]- 206.01828 131.7
[M+NH4]+ 225.05938 149.3
[M+K]+ 245.98872 135.5
[M+H-H2O]+ 190.02282 128.8
[M+HCOO]- 252.02376 154.0
[M+CH3COO]- 266.03941 180.2
[M+Na-2H]- 228.00023 141.1
[M]+ 207.02501 125.8
[M]- 207.02611 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