CID 12702856

N-(2,2,2-trifluoroethyl)pyridin-2-amine

Structural Information

Molecular Formula
C7H7F3N2
SMILES
C1=CC=NC(=C1)NCC(F)(F)F
InChI
InChI=1S/C7H7F3N2/c8-7(9,10)5-12-6-3-1-2-4-11-6/h1-4H,5H2,(H,11,12)
InChIKey
LZTQCRYXEBMFEX-UHFFFAOYSA-N
Compound name
N-(2,2,2-trifluoroethyl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

176.05614 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.063416 131.4
[M+Na]+ 199.045358 139.5
[M-H]- 175.048864 129.8
[M+NH4]+ 194.089963 149.9
[M+K]+ 215.019298 136.9
[M+H-H2O]+ 159.053400 122.5
[M+HCOO]- 221.054341 151.6
[M+CH3COO]- 235.069991 180.7
[M+Na-2H]- 197.030806 139.9
[M]+ 176.05559142 126.2
[M]- 176.05668858 126.2
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