CID 19618

3785-34-0

Structural Information

Molecular Formula

C₆H₈Br₂O₄

SMILES

C(COC(=O)CBr)OC(=O)CBr

InChI

InChI=1S/C6H8Br2O4/c7-3-5(9)11-1-2-12-6(10)4-8/h1-4H2

InChIKey

WGHAPLWNJPAJDE-UHFFFAOYSA-N

Compound name

2-(2-bromoacetyl)oxyethyl 2-bromoacetate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 8
References: 360
Patents: 301.87894 Da
Monoisotopic Mass: 1.6
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]+	302.886216	140.2
[M+Na]+	324.868158	150.0
[M-H]-	300.871664	144.0
[M+NH4]+	319.912763	158.9
[M+K]+	340.842098	135.7
[M+H-H2O]+	284.876200	147.5
[M+HCOO]-	346.877141	155.5
[M+CH3COO]-	360.892791	201.7
[M+Na-2H]-	322.853606	145.9
[M]+	301.87839142	176.7
[M]-	301.87948858	176.7

Literature stripe

literature stripe

Patent stripe

patents stripe