CID 6433596

Brn 2440490

Structural Information

Molecular Formula

C₁₀H₉ClO₂

SMILES

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

InChI

InChI=1S/C10H9ClO2/c1-13-9-4-2-8(3-5-9)10(11)6-7-12/h2-7H,1H3/b10-6-

InChIKey

ZDHOBXVUKIFNBV-POHAHGRESA-N

Compound name

(Z)-3-chloro-3-(4-methoxyphenyl)prop-2-enal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 24
Patents: 196.02911 Da
Monoisotopic Mass: 2.2
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