CID 73977787

1172603-97-2

Structural Information

Molecular Formula

C₆H₈F₃NO₂

SMILES

CN(C(=O)/C=C/C(F)(F)F)OC

InChI

InChI=1S/C6H8F3NO2/c1-10(12-2)5(11)3-4-6(7,8)9/h3-4H,1-2H3/b4-3+

InChIKey

SXKYBBUJTGYOIJ-ONEGZZNKSA-N

Compound name

(E)-4,4,4-trifluoro-N-methoxy-N-methylbut-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 183.05072 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	184.05800	133.2
[M+Na]+	206.03994	140.9
[M-H]-	182.04344	131.3
[M+NH4]+	201.08454	153.6
[M+K]+	222.01388	141.4
[M+H-H2O]+	166.04798	126.0
[M+HCOO]-	228.04892	153.8
[M+CH3COO]-	242.06457	185.0
[M+Na-2H]-	204.02539	137.6
[M]+	183.05017	131.4
[M]-	183.05127	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe