CID 4119153

2,2,2-trifluoro-n-(2-oxo-3-((trifluoroacetyl)amino)propyl)acetamide

Structural Information

Molecular Formula
C7H6F6N2O3
SMILES
C(C(=O)CNC(=O)C(F)(F)F)NC(=O)C(F)(F)F
InChI
InChI=1S/C7H6F6N2O3/c8-6(9,10)4(17)14-1-3(16)2-15-5(18)7(11,12)13/h1-2H2,(H,14,17)(H,15,18)
InChIKey
CENCYWCYTFIOLH-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-[2-oxo-3-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

280.02826 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.03554 167.3
[M+Na]+ 303.01748 167.9
[M+NH4]+ 298.06208 166.9
[M+K]+ 318.99142 166.8
[M-H]- 279.02098 157.7
[M+Na-2H]- 301.00293 164.3
[M]+ 280.02771 163.8
[M]- 280.02881 163.8
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

patents stripe