CID 28595924

[(2-nitrophenyl)methyl](2,2,2-trifluoroethyl)amine hydrochloride

Structural Information

Molecular Formula
C9H9F3N2O2
SMILES
C1=CC=C(C(=C1)CNCC(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C9H9F3N2O2/c10-9(11,12)6-13-5-7-3-1-2-4-8(7)14(15)16/h1-4,13H,5-6H2
InChIKey
YVMSPFWYRANZGU-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-[(2-nitrophenyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.06161 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.06889 140.7
[M+Na]+ 257.05083 149.6
[M+NH4]+ 252.09543 146.1
[M+K]+ 273.02477 147.4
[M-H]- 233.05433 139.3
[M+Na-2H]- 255.03628 145.4
[M]+ 234.06106 141.1
[M]- 234.06216 141.1
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

No patent data available for this compound.