CID 10751191

183800-94-4

Structural Information

Molecular Formula

C₁₀H₇F₃O₂

SMILES

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

InChI

InChI=1S/C10H7F3O2/c11-10(12,13)15-9-5-3-8(4-6-9)2-1-7-14/h1-7H/b2-1+

InChIKey

GGNLWQJCNHVNJG-OWOJBTEDSA-N

Compound name

(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 216.03981 Da
Monoisotopic Mass: 3.0
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	149.7
[M+Na]+	239.02903	159.0
[M+NH4]+	234.07363	154.8
[M+K]+	255.00297	153.2
[M-H]-	215.03253	146.2
[M+Na-2H]-	237.01448	153.6
[M]+	216.03926	149.7
[M]-	216.04036	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe