CID 225443

N,n-diethyl-2,2,2-trifluoroacetamide

Structural Information

Molecular Formula
C6H10F3NO
SMILES
CCN(CC)C(=O)C(F)(F)F
InChI
InChI=1S/C6H10F3NO/c1-3-10(4-2)5(11)6(7,8)9/h3-4H2,1-2H3
InChIKey
CODXZFSZJFCVBE-UHFFFAOYSA-N
Compound name
N,N-diethyl-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

238
Patents

169.07144 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.078716 131.8
[M+Na]+ 192.060658 139.1
[M-H]- 168.064164 129.8
[M+NH4]+ 187.105263 152.7
[M+K]+ 208.034598 139.7
[M+H-H2O]+ 152.068700 124.6
[M+HCOO]- 214.069641 151.9
[M+CH3COO]- 228.085291 184.7
[M+Na-2H]- 190.046106 136.0
[M]+ 169.07089142 129.2
[M]- 169.07198858 129.2
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