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 149.8
[M+Na]+ 303.01748 156.3
[M-H]- 279.02098 142.4
[M+NH4]+ 298.06208 164.6
[M+K]+ 318.99142 155.2
[M+H-H2O]+ 263.02552 139.8
[M+HCOO]- 325.02646 164.2
[M+CH3COO]- 339.04211 200.7
[M+Na-2H]- 301.00293 151.5
[M]+ 280.02771 140.8
[M]- 280.02881 140.8
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