CID 10900854

56210-74-3

Structural Information

Molecular Formula

C₁₂H₁₁F₃O₂

SMILES

CCOC(=O)/C=C(\C1=CC=CC=C1)/C(F)(F)F

InChI

InChI=1S/C12H11F3O2/c1-2-17-11(16)8-10(12(13,14)15)9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8+

InChIKey

SNOHGJYJJUSAKS-CSKARUKUSA-N

Compound name

ethyl (E)-4,4,4-trifluoro-3-phenylbut-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 244.07112 Da
Monoisotopic Mass: 3.7
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]+	245.078396	150.5
[M+Na]+	267.060338	157.5
[M-H]-	243.063844	149.9
[M+NH4]+	262.104943	167.7
[M+K]+	283.034278	154.8
[M+H-H2O]+	227.068380	142.1
[M+HCOO]-	289.069321	168.3
[M+CH3COO]-	303.084971	190.9
[M+Na-2H]-	265.045786	153.6
[M]+	244.07057142	147.5
[M]-	244.07166858	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe