CID 207252

Brn 2419142

Structural Information

Molecular Formula
C12H15F3N2O
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCC(=O)N
InChI
InChI=1S/C12H15F3N2O/c1-8(17-7-11(16)18)5-9-3-2-4-10(6-9)12(13,14)15/h2-4,6,8,17H,5,7H2,1H3,(H2,16,18)
InChIKey
WQFYCEFJNANLFG-UHFFFAOYSA-N
Compound name
2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.11365 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12093 156.6
[M+Na]+ 283.10287 162.3
[M-H]- 259.10637 155.5
[M+NH4]+ 278.14747 172.4
[M+K]+ 299.07681 159.3
[M+H-H2O]+ 243.11091 147.5
[M+HCOO]- 305.11185 175.2
[M+CH3COO]- 319.12750 201.5
[M+Na-2H]- 281.08832 158.4
[M]+ 260.11310 150.7
[M]- 260.11420 150.7
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.