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]+ 247.10527 152.2
[M+Na]+ 269.08721 157.9
[M-H]- 245.09071 152.4
[M+NH4]+ 264.13181 169.0
[M+K]+ 285.06115 155.9
[M+H-H2O]+ 229.09525 142.8
[M+HCOO]- 291.09619 172.7
[M+CH3COO]- 305.11184 199.1
[M+Na-2H]- 267.07266 155.7
[M]+ 246.09744 147.4
[M]- 246.09854 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.