CID 91620045

1254365-78-0

Structural Information

Molecular Formula

C₁₀H₈Cl₂O₂

SMILES

COC(=O)C(=C)C1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C10H8Cl2O2/c1-6(10(13)14-2)7-3-4-8(11)9(12)5-7/h3-5H,1H2,2H3

InChIKey

DKHZSFPASRZZQC-UHFFFAOYSA-N

Compound name

methyl 2-(3,4-dichlorophenyl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 229.99013 Da
Monoisotopic Mass: 3.6
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]+	230.997406	141.8
[M+Na]+	252.979348	152.0
[M-H]-	228.982854	145.5
[M+NH4]+	248.023953	161.6
[M+K]+	268.953288	147.2
[M+H-H2O]+	212.987390	138.4
[M+HCOO]-	274.988331	155.5
[M+CH3COO]-	289.003981	188.4
[M+Na-2H]-	250.964796	144.8
[M]+	229.98958142	146.3
[M]-	229.99067858	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe