CID 21828495

Ethyl 2-(2-bromo-4-chlorophenyl)acetate

Structural Information

Molecular Formula

C₁₀H₁₀BrClO₂

SMILES

CCOC(=O)CC1=C(C=C(C=C1)Cl)Br

InChI

InChI=1S/C10H10BrClO2/c1-2-14-10(13)5-7-3-4-8(12)6-9(7)11/h3-4,6H,2,5H2,1H3

InChIKey

JICLXILCAYHCAW-UHFFFAOYSA-N

Compound name

ethyl 2-(2-bromo-4-chlorophenyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 275.95526 Da
Monoisotopic Mass: 3.4
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]+	276.962536	148.0
[M+Na]+	298.944478	161.0
[M-H]-	274.947984	154.6
[M+NH4]+	293.989083	169.2
[M+K]+	314.918418	148.6
[M+H-H2O]+	258.952520	149.1
[M+HCOO]-	320.953461	165.0
[M+CH3COO]-	334.969111	193.5
[M+Na-2H]-	296.929926	153.9
[M]+	275.95471142	170.8
[M]-	275.95580858	170.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe