CID 69635

685-27-8

Structural Information

Molecular Formula
C5H3F6NO2
SMILES
CN(C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChI
InChI=1S/C5H3F6NO2/c1-12(2(13)4(6,7)8)3(14)5(9,10)11/h1H3
InChIKey
AWGBWLXGUPTXHF-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-methyl-N-(2,2,2-trifluoroacetyl)acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

177
Patents

223.00679 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.01407 134.9
[M+Na]+ 245.99601 143.4
[M-H]- 221.99951 129.5
[M+NH4]+ 241.04061 153.3
[M+K]+ 261.96995 143.8
[M+H-H2O]+ 206.00405 125.8
[M+HCOO]- 268.00499 150.0
[M+CH3COO]- 282.02064 191.3
[M+Na-2H]- 243.98146 137.8
[M]+ 223.00624 127.2
[M]- 223.00734 127.2
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