CID 12754876

Ethyl 2-bromo-(4-bromophenyl)acetate

Structural Information

Molecular Formula

C₁₀H₁₀Br₂O₂

SMILES

CCOC(=O)C(C1=CC=C(C=C1)Br)Br

InChI

InChI=1S/C10H10Br2O2/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3

InChIKey

PPRAWWBOUOBAON-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 319.90475 Da
Monoisotopic Mass: 3.7
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]+	320.91203	147.9
[M+Na]+	342.89397	157.7
[M-H]-	318.89747	154.4
[M+NH4]+	337.93857	166.2
[M+K]+	358.86791	142.9
[M+H-H2O]+	302.90201	155.6
[M+HCOO]-	364.90295	163.0
[M+CH3COO]-	378.91860	206.2
[M+Na-2H]-	340.87942	153.2
[M]+	319.90420	182.8
[M]-	319.90530	182.8

Literature stripe

literature stripe

Patent stripe

patents stripe