CID 61312859

5-amino-2-(2,2,2-trifluoroethoxy)benzamide

Structural Information

Molecular Formula
C9H9F3N2O2
SMILES
C1=CC(=C(C=C1N)C(=O)N)OCC(F)(F)F
InChI
InChI=1S/C9H9F3N2O2/c10-9(11,12)4-16-7-2-1-5(13)3-6(7)8(14)15/h1-3H,4,13H2,(H2,14,15)
InChIKey
JCZZNPQDFSEEHZ-UHFFFAOYSA-N
Compound name
5-amino-2-(2,2,2-trifluoroethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.06161 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.068886 145.7
[M+Na]+ 257.050828 153.8
[M-H]- 233.054334 144.9
[M+NH4]+ 252.095433 162.6
[M+K]+ 273.024768 151.2
[M+H-H2O]+ 217.058870 137.1
[M+HCOO]- 279.059811 165.9
[M+CH3COO]- 293.075461 194.3
[M+Na-2H]- 255.036276 148.6
[M]+ 234.06106142 140.1
[M]- 234.06215858 140.1
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.