CID 6433653

15724-87-5

Structural Information

Molecular Formula

C₁₀H₉ClO₂

SMILES

COC1=CC=C(C=C1)C(=O)/C=C/Cl

InChI

InChI=1S/C10H9ClO2/c1-13-9-4-2-8(3-5-9)10(12)6-7-11/h2-7H,1H3/b7-6+

InChIKey

NTFFVFPCZOKKOT-VOTSOKGWSA-N

Compound name

(E)-3-chloro-1-(4-methoxyphenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 196.02911 Da
Monoisotopic Mass: 2.6
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	138.5
[M+Na]+	219.01833	152.4
[M+NH4]+	214.06293	147.1
[M+K]+	234.99227	145.1
[M-H]-	195.02183	140.3
[M+Na-2H]-	217.00378	145.5
[M]+	196.02856	141.2
[M]-	196.02966	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe