CID 60719013

2-amino-n-benzyl-n-(2,2,2-trifluoroethyl)acetamide hydrochloride

Structural Information

Molecular Formula
C11H13F3N2O
SMILES
C1=CC=C(C=C1)CN(CC(F)(F)F)C(=O)CN
InChI
InChI=1S/C11H13F3N2O/c12-11(13,14)8-16(10(17)6-15)7-9-4-2-1-3-5-9/h1-5H,6-8,15H2
InChIKey
NWPGEGSKUKDIFH-UHFFFAOYSA-N
Compound name
2-amino-N-benzyl-N-(2,2,2-trifluoroethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.09799 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.105266 152.2
[M+Na]+ 269.087208 157.9
[M-H]- 245.090714 152.4
[M+NH4]+ 264.131813 169.0
[M+K]+ 285.061148 155.9
[M+H-H2O]+ 229.095250 142.8
[M+HCOO]- 291.096191 172.7
[M+CH3COO]- 305.111841 199.1
[M+Na-2H]- 267.072656 155.7
[M]+ 246.09744142 147.4
[M]- 246.09853858 147.4
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.