CID 28595924

1171562-15-4

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 143.0
[M+Na]+ 257.05083 149.9
[M-H]- 233.05433 142.8
[M+NH4]+ 252.09543 159.8
[M+K]+ 273.02477 143.3
[M+H-H2O]+ 217.05887 139.1
[M+HCOO]- 279.05981 165.1
[M+CH3COO]- 293.07546 186.4
[M+Na-2H]- 255.03628 151.0
[M]+ 234.06106 137.4
[M]- 234.06216 137.4
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.