CID 67885

2,2,2-trifluoro-n-(trifluoroacetyl)acetamide

Structural Information

Molecular Formula
C4HF6NO2
SMILES
C(=O)(C(F)(F)F)NC(=O)C(F)(F)F
InChI
InChI=1S/C4HF6NO2/c5-3(6,7)1(12)11-2(13)4(8,9)10/h(H,11,12,13)
InChIKey
GMQVFHZSXKJCIV-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

632
Patents

208.99115 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.99843 131.3
[M+Na]+ 231.98037 139.9
[M-H]- 207.98387 124.5
[M+NH4]+ 227.02497 149.5
[M+K]+ 247.95431 139.1
[M+H-H2O]+ 191.98841 122.4
[M+HCOO]- 253.98935 146.1
[M+CH3COO]- 268.00500 184.8
[M+Na-2H]- 229.96582 135.2
[M]+ 208.99060 121.9
[M]- 208.99170 121.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe