CID 114982424

1476730-98-9

Structural Information

Molecular Formula

C₁₀H₇F₃O₂

SMILES

C=CC(=O)C1=CC=C(C=C1)OC(F)(F)F

InChI

InChI=1S/C10H7F3O2/c1-2-9(14)7-3-5-8(6-4-7)15-10(11,12)13/h2-6H,1H2

InChIKey

NTIPXOMDDHBFCT-UHFFFAOYSA-N

Compound name

1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 216.03981 Da
Monoisotopic Mass: 3.4
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]+	217.04709	149.6
[M+Na]+	239.02903	158.6
[M+NH4]+	234.07363	154.6
[M+K]+	255.00297	153.5
[M-H]-	215.03253	145.9
[M+Na-2H]-	237.01448	153.2
[M]+	216.03926	149.5
[M]-	216.04036	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe