CID 10419487

2-(trifluoromethyl)pyridin-3-amine

Structural Information

Molecular Formula
C6H5F3N2
SMILES
C1=CC(=C(N=C1)C(F)(F)F)N
InChI
InChI=1S/C6H5F3N2/c7-6(8,9)5-4(10)2-1-3-11-5/h1-3H,10H2
InChIKey
XZKZVCLLDKWOKM-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

201
Patents

162.04048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.04776 127.2
[M+Na]+ 185.02970 136.7
[M-H]- 161.03320 125.7
[M+NH4]+ 180.07430 146.3
[M+K]+ 201.00364 134.0
[M+H-H2O]+ 145.03774 118.8
[M+HCOO]- 207.03868 147.1
[M+CH3COO]- 221.05433 178.1
[M+Na-2H]- 183.01515 134.5
[M]+ 162.03993 121.0
[M]- 162.04103 121.0
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