CID 6435517

Brn 6510026

Structural Information

Molecular Formula

C₁₂H₁₂F₃NO

SMILES

CN(C)C(=O)/C=C/C1=CC(=CC=C1)C(F)(F)F

InChI

InChI=1S/C12H12F3NO/c1-16(2)11(17)7-6-9-4-3-5-10(8-9)12(13,14)15/h3-8H,1-2H3/b7-6+

InChIKey

FUQHSNMJHLBXKF-VOTSOKGWSA-N

Compound name

(E)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 243.0871 Da
Monoisotopic Mass: 2.6
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]+	244.09438	150.6
[M+Na]+	266.07632	158.2
[M-H]-	242.07982	151.8
[M+NH4]+	261.12092	168.6
[M+K]+	282.05026	155.7
[M+H-H2O]+	226.08436	141.9
[M+HCOO]-	288.08530	170.6
[M+CH3COO]-	302.10095	197.5
[M+Na-2H]-	264.06177	153.7
[M]+	243.08655	147.6
[M]-	243.08765	147.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.