CID 4770036

58236-91-2

Structural Information

Molecular Formula

C₁₀H₉ClO₂

SMILES

C=CCOC1=C(C=C(C=C1)C=O)Cl

InChI

InChI=1S/C10H9ClO2/c1-2-5-13-10-4-3-8(7-12)6-9(10)11/h2-4,6-7H,1,5H2

InChIKey

KMFXGBKTGDWRTF-UHFFFAOYSA-N

Compound name

3-chloro-4-prop-2-enoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 196.02911 Da
Monoisotopic Mass: 2.7
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]+	197.03639	137.8
[M+Na]+	219.01833	152.3
[M+NH4]+	214.06293	146.5
[M+K]+	234.99227	144.4
[M-H]-	195.02183	139.8
[M+Na-2H]-	217.00378	145.0
[M]+	196.02856	140.7
[M]-	196.02966	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe