CID 11217342

4-fluorocinnamaldehyde

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C9H7FO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-7H/b2-1+

InChIKey

YSIYEWBILJZDQH-OWOJBTEDSA-N

Compound name

(E)-3-(4-fluorophenyl)prop-2-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 326
Patents: 150.0481 Da
Monoisotopic Mass: 1.9
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]+	151.05538	130.2
[M+Na]+	173.03732	143.2
[M+NH4]+	168.08192	138.5
[M+K]+	189.01126	135.7
[M-H]-	149.04082	131.1
[M+Na-2H]-	171.02277	137.3
[M]+	150.04755	132.2
[M]-	150.04865	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe