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]+ 235.06889 145.7
[M+Na]+ 257.05083 153.8
[M-H]- 233.05433 144.9
[M+NH4]+ 252.09543 162.6
[M+K]+ 273.02477 151.2
[M+H-H2O]+ 217.05887 137.1
[M+HCOO]- 279.05981 165.9
[M+CH3COO]- 293.07546 194.3
[M+Na-2H]- 255.03628 148.6
[M]+ 234.06106 140.1
[M]- 234.06216 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.