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

228
Patents

162.04048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.047756 127.2
[M+Na]+ 185.029698 136.7
[M-H]- 161.033204 125.7
[M+NH4]+ 180.074303 146.3
[M+K]+ 201.003638 134.0
[M+H-H2O]+ 145.037740 118.8
[M+HCOO]- 207.038681 147.1
[M+CH3COO]- 221.054331 178.1
[M+Na-2H]- 183.015146 134.5
[M]+ 162.03993142 121.0
[M]- 162.04102858 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