CID 6010430

Ethyl 2,6-dichlorocinnamate

Structural Information

Molecular Formula

C₁₁H₁₀Cl₂O₂

SMILES

CCOC(=O)/C=C/C1=C(C=CC=C1Cl)Cl

InChI

InChI=1S/C11H10Cl2O2/c1-2-15-11(14)7-6-8-9(12)4-3-5-10(8)13/h3-7H,2H2,1H3/b7-6+

InChIKey

LUUHRZVWQLCAAC-VOTSOKGWSA-N

Compound name

ethyl (E)-3-(2,6-dichlorophenyl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 244.00578 Da
Monoisotopic Mass: 3.8
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]+	245.01306	147.6
[M+Na]+	266.99500	157.7
[M-H]-	242.99850	151.0
[M+NH4]+	262.03960	166.9
[M+K]+	282.96894	152.2
[M+H-H2O]+	227.00304	143.8
[M+HCOO]-	289.00398	161.9
[M+CH3COO]-	303.01963	189.9
[M+Na-2H]-	264.98045	151.1
[M]+	244.00523	152.8
[M]-	244.00633	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe