CID 3024869

N,n-diethyl-2,3,3-trifluoroacrylamide

Structural Information

Molecular Formula
C7H10F3NO
SMILES
CCN(CC)C(=O)C(=C(F)F)F
InChI
InChI=1S/C7H10F3NO/c1-3-11(4-2)7(12)5(8)6(9)10/h3-4H2,1-2H3
InChIKey
SFVAUJPSCBBWBL-UHFFFAOYSA-N
Compound name
N,N-diethyl-2,3,3-trifluoroprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.07144 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.078716 136.1
[M+Na]+ 204.060658 142.4
[M-H]- 180.064164 133.8
[M+NH4]+ 199.105263 156.2
[M+K]+ 220.034598 142.6
[M+H-H2O]+ 164.068700 128.3
[M+HCOO]- 226.069641 155.6
[M+CH3COO]- 240.085291 188.2
[M+Na-2H]- 202.046106 136.6
[M]+ 181.07089142 132.4
[M]- 181.07198858 132.4
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

No patent data available for this compound.